USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 879 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 ASN : amide:sc= -0.0905 K(o=-0.19,f=-2.8) USER MOD Set 1.2: A 107 GLN : amide:sc= -0.0953 K(o=-0.19,f=-1.5) USER MOD Set 2.1: A 37 GLN : amide:sc= -0.271 K(o=1.3,f=-1.2) USER MOD Set 2.2: A 93 LYS NZ :NH3+ -172:sc= 1.6 (180deg=1.12) USER MOD Set 3.1: A 67 GLN : amide:sc= 0 X(o=-0.2,f=-0.25) USER MOD Set 3.2: A 71 MET CE :methyl -171:sc= -0.197 (180deg=-0.286) USER MOD Set 4.1: A 8 THR OG1 : rot 87:sc= 1.14 USER MOD Set 4.2: A 11 THR OG1 : rot -170:sc= 0.987 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.0424 K(o=-0.042,f=-1.4!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot -91:sc= 1.22 USER MOD Single : A 25 GLN : amide:sc= -0.0508 K(o=-0.051,f=-2.1!) USER MOD Single : A 28 SER OG : rot 180:sc= 0.00193 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -171:sc= -0.814 (180deg=-1.14) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0663 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0845 X(o=-0.084,f=-0.15) USER MOD Single : A 47 SER OG : rot 65:sc= 0.575 USER MOD Single : A 50 GLN : amide:sc= -0.179 K(o=-0.18,f=-1.8) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc=-0.00324 X(o=-0.0032,f=-0.041) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.028 USER MOD Single : A 62 SER OG : rot 180:sc= 0.114 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -134:sc= -0.101 (180deg=-1.29) USER MOD Single : A 70 ASN : amide:sc= -0.713 K(o=-0.71,f=0.13) USER MOD Single : A 75 SER OG : rot -40:sc= 0.689 USER MOD Single : A 76 SER OG : rot 180:sc= 0.022 USER MOD Single : A 83 SER OG : rot -24:sc= 0.282 USER MOD Single : A 89 SER OG : rot 180:sc=-0.00344 USER MOD Single : A 91 SER OG : rot 180:sc= 0.12 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -178:sc= 1.27 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -69:sc= 0.968 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 114 GLN : amide:sc= -2.58! C(o=-2.6!,f=-1.9!) USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 THR OG1 : rot 17:sc= 0.606 USER MOD Single : A 122 GLN : amide:sc= -0.265 X(o=-0.27,f=-0.56) USER MOD Single : A 125 SER OG : rot 17:sc= 0.277 USER MOD Single : A 126 MET CE :methyl -162:sc= -0.0508 (180deg=-0.415) USER MOD Single : A 129 GLN : amide:sc= -0.0559 X(o=-0.056,f=-0.056) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 12.726 4.814 3.569 1.00 41.02 N ATOM 83 CA THR A 8 11.356 4.595 3.142 1.00 44.13 C ATOM 84 C THR A 8 11.308 3.210 2.484 1.00 32.42 C ATOM 85 O THR A 8 12.246 2.850 1.764 1.00 20.25 O ATOM 86 CB THR A 8 10.917 5.680 2.127 1.00 12.55 C ATOM 87 OG1 THR A 8 11.922 6.641 1.871 1.00 15.13 O ATOM 88 CG2 THR A 8 9.687 6.441 2.609 1.00 32.31 C ATOM 0 HA THR A 8 10.678 4.651 3.994 1.00 44.13 H new ATOM 0 HB THR A 8 10.700 5.127 1.213 1.00 12.55 H new ATOM 0 HG1 THR A 8 12.505 6.321 1.151 1.00 15.13 H new ATOM 0 HG21 THR A 8 9.411 7.193 1.869 1.00 32.31 H new ATOM 0 HG22 THR A 8 8.859 5.745 2.746 1.00 32.31 H new ATOM 0 HG23 THR A 8 9.910 6.930 3.557 1.00 32.31 H new ATOM 96 N PRO A 9 10.216 2.441 2.631 1.00 43.12 N ATOM 97 CA PRO A 9 10.110 1.127 2.008 1.00 73.33 C ATOM 98 C PRO A 9 10.095 1.234 0.474 1.00 31.24 C ATOM 99 O PRO A 9 10.252 0.231 -0.209 1.00 41.25 O ATOM 100 CB PRO A 9 8.848 0.493 2.600 1.00 60.44 C ATOM 101 CG PRO A 9 8.002 1.695 3.005 1.00 23.41 C ATOM 102 CD PRO A 9 9.041 2.725 3.431 1.00 54.20 C ATOM 0 HA PRO A 9 10.974 0.495 2.216 1.00 73.33 H new ATOM 0 HB2 PRO A 9 8.333 -0.133 1.871 1.00 60.44 H new ATOM 0 HB3 PRO A 9 9.081 -0.141 3.456 1.00 60.44 H new ATOM 0 HG2 PRO A 9 7.393 2.056 2.176 1.00 23.41 H new ATOM 0 HG3 PRO A 9 7.320 1.451 3.819 1.00 23.41 H new ATOM 0 HD2 PRO A 9 8.683 3.740 3.256 1.00 54.20 H new ATOM 0 HD3 PRO A 9 9.261 2.644 4.495 1.00 54.20 H new ATOM 110 N TRP A 10 9.937 2.439 -0.078 1.00 24.12 N ATOM 111 CA TRP A 10 9.918 2.728 -1.502 1.00 51.15 C ATOM 112 C TRP A 10 11.317 3.088 -2.029 1.00 25.22 C ATOM 113 O TRP A 10 11.518 3.154 -3.245 1.00 50.52 O ATOM 114 CB TRP A 10 8.923 3.874 -1.723 1.00 21.02 C ATOM 115 CG TRP A 10 7.564 3.609 -1.144 1.00 24.24 C ATOM 116 CD1 TRP A 10 7.082 4.089 0.025 1.00 30.33 C ATOM 117 CD2 TRP A 10 6.537 2.710 -1.649 1.00 4.30 C ATOM 118 NE1 TRP A 10 5.831 3.555 0.262 1.00 45.41 N ATOM 119 CE2 TRP A 10 5.462 2.666 -0.718 1.00 30.53 C ATOM 120 CE3 TRP A 10 6.436 1.888 -2.785 1.00 42.14 C ATOM 121 CZ2 TRP A 10 4.346 1.836 -0.897 1.00 3.23 C ATOM 122 CZ3 TRP A 10 5.336 1.032 -2.969 1.00 51.32 C ATOM 123 CH2 TRP A 10 4.291 1.004 -2.027 1.00 62.23 C ATOM 0 H TRP A 10 9.813 3.277 0.490 1.00 24.12 H new ATOM 0 HA TRP A 10 9.608 1.844 -2.059 1.00 51.15 H new ATOM 0 HB2 TRP A 10 9.326 4.785 -1.280 1.00 21.02 H new ATOM 0 HB3 TRP A 10 8.824 4.057 -2.793 1.00 21.02 H new ATOM 0 HD1 TRP A 10 7.596 4.783 0.673 1.00 30.33 H new ATOM 0 HE1 TRP A 10 5.251 3.792 1.067 1.00 45.41 H new ATOM 0 HE3 TRP A 10 7.218 1.915 -3.530 1.00 42.14 H new ATOM 0 HZ2 TRP A 10 3.541 1.837 -0.177 1.00 3.23 H new ATOM 0 HZ3 TRP A 10 5.293 0.392 -3.838 1.00 51.32 H new ATOM 0 HH2 TRP A 10 3.449 0.344 -2.173 1.00 62.23 H new ATOM 134 N THR A 11 12.295 3.320 -1.144 1.00 43.41 N ATOM 135 CA THR A 11 13.652 3.675 -1.537 1.00 72.21 C ATOM 136 C THR A 11 14.419 2.471 -2.098 1.00 72.02 C ATOM 137 O THR A 11 15.226 2.657 -3.013 1.00 4.45 O ATOM 138 CB THR A 11 14.397 4.291 -0.336 1.00 72.33 C ATOM 139 OG1 THR A 11 13.666 5.383 0.193 1.00 72.34 O ATOM 140 CG2 THR A 11 15.771 4.837 -0.736 1.00 73.12 C ATOM 0 H THR A 11 12.160 3.265 -0.134 1.00 43.41 H new ATOM 0 HA THR A 11 13.591 4.412 -2.338 1.00 72.21 H new ATOM 0 HB THR A 11 14.509 3.492 0.396 1.00 72.33 H new ATOM 0 HG1 THR A 11 14.218 5.860 0.847 1.00 72.34 H new ATOM 0 HG21 THR A 11 16.262 5.262 0.139 1.00 73.12 H new ATOM 0 HG22 THR A 11 16.381 4.028 -1.138 1.00 73.12 H new ATOM 0 HG23 THR A 11 15.649 5.610 -1.495 1.00 73.12 H new ATOM 148 N ASN A 12 14.184 1.246 -1.612 1.00 54.31 N ATOM 149 CA ASN A 12 14.901 0.060 -2.086 1.00 4.21 C ATOM 150 C ASN A 12 13.909 -1.034 -2.471 1.00 71.24 C ATOM 151 O ASN A 12 12.969 -1.280 -1.713 1.00 33.31 O ATOM 152 CB ASN A 12 15.880 -0.442 -1.016 1.00 55.30 C ATOM 153 CG ASN A 12 17.001 0.545 -0.731 1.00 64.11 C ATOM 154 OD1 ASN A 12 17.068 1.118 0.354 1.00 33.20 O ATOM 155 ND2 ASN A 12 17.890 0.785 -1.677 1.00 3.42 N ATOM 0 H ASN A 12 13.496 1.052 -0.884 1.00 54.31 H new ATOM 0 HA ASN A 12 15.478 0.330 -2.970 1.00 4.21 H new ATOM 0 HB2 ASN A 12 15.333 -0.639 -0.094 1.00 55.30 H new ATOM 0 HB3 ASN A 12 16.310 -1.389 -1.340 1.00 55.30 H new ATOM 0 HD21 ASN A 12 18.643 1.452 -1.511 1.00 3.42 H new ATOM 0 HD22 ASN A 12 17.824 0.303 -2.573 1.00 3.42 H new ATOM 162 N PRO A 13 14.097 -1.719 -3.615 1.00 33.21 N ATOM 163 CA PRO A 13 13.184 -2.760 -4.064 1.00 14.30 C ATOM 164 C PRO A 13 13.186 -3.973 -3.138 1.00 21.32 C ATOM 165 O PRO A 13 12.133 -4.580 -2.981 1.00 50.42 O ATOM 166 CB PRO A 13 13.582 -3.096 -5.504 1.00 24.22 C ATOM 167 CG PRO A 13 15.046 -2.678 -5.579 1.00 5.33 C ATOM 168 CD PRO A 13 15.171 -1.537 -4.576 1.00 15.13 C ATOM 0 HA PRO A 13 12.151 -2.412 -4.035 1.00 14.30 H new ATOM 0 HB2 PRO A 13 13.457 -4.158 -5.717 1.00 24.22 H new ATOM 0 HB3 PRO A 13 12.972 -2.552 -6.226 1.00 24.22 H new ATOM 0 HG2 PRO A 13 15.708 -3.505 -5.323 1.00 5.33 H new ATOM 0 HG3 PRO A 13 15.315 -2.354 -6.584 1.00 5.33 H new ATOM 0 HD2 PRO A 13 16.142 -1.558 -4.082 1.00 15.13 H new ATOM 0 HD3 PRO A 13 15.088 -0.571 -5.074 1.00 15.13 H new ATOM 176 N GLY A 14 14.302 -4.296 -2.473 1.00 42.13 N ATOM 177 CA GLY A 14 14.356 -5.439 -1.566 1.00 11.40 C ATOM 178 C GLY A 14 13.571 -5.190 -0.280 1.00 52.10 C ATOM 179 O GLY A 14 13.329 -6.118 0.493 1.00 44.12 O ATOM 0 H GLY A 14 15.178 -3.779 -2.549 1.00 42.13 H new ATOM 0 HA2 GLY A 14 13.957 -6.320 -2.069 1.00 11.40 H new ATOM 0 HA3 GLY A 14 15.395 -5.657 -1.319 1.00 11.40 H new ATOM 183 N LEU A 15 13.219 -3.932 0.004 1.00 45.12 N ATOM 184 CA LEU A 15 12.431 -3.571 1.169 1.00 63.30 C ATOM 185 C LEU A 15 10.981 -3.526 0.688 1.00 61.12 C ATOM 186 O LEU A 15 10.108 -4.124 1.315 1.00 21.14 O ATOM 187 CB LEU A 15 12.899 -2.230 1.755 1.00 15.14 C ATOM 188 CG LEU A 15 12.796 -2.205 3.292 1.00 53.01 C ATOM 189 CD1 LEU A 15 13.282 -0.845 3.793 1.00 30.00 C ATOM 190 CD2 LEU A 15 11.388 -2.492 3.831 1.00 24.23 C ATOM 0 H LEU A 15 13.479 -3.135 -0.578 1.00 45.12 H new ATOM 0 HA LEU A 15 12.543 -4.291 1.980 1.00 63.30 H new ATOM 0 HB2 LEU A 15 13.931 -2.045 1.458 1.00 15.14 H new ATOM 0 HB3 LEU A 15 12.297 -1.422 1.338 1.00 15.14 H new ATOM 0 HG LEU A 15 13.423 -3.013 3.667 1.00 53.01 H new ATOM 0 HD11 LEU A 15 13.215 -0.813 4.880 1.00 30.00 H new ATOM 0 HD12 LEU A 15 14.318 -0.694 3.489 1.00 30.00 H new ATOM 0 HD13 LEU A 15 12.660 -0.057 3.367 1.00 30.00 H new ATOM 0 HD21 LEU A 15 11.401 -2.456 4.920 1.00 24.23 H new ATOM 0 HD22 LEU A 15 10.693 -1.743 3.451 1.00 24.23 H new ATOM 0 HD23 LEU A 15 11.068 -3.482 3.505 1.00 24.23 H new ATOM 202 N ALA A 16 10.748 -2.886 -0.466 1.00 14.10 N ATOM 203 CA ALA A 16 9.437 -2.751 -1.073 1.00 63.54 C ATOM 204 C ALA A 16 8.804 -4.111 -1.325 1.00 33.35 C ATOM 205 O ALA A 16 7.671 -4.329 -0.914 1.00 70.40 O ATOM 206 CB ALA A 16 9.546 -2.003 -2.409 1.00 70.25 C ATOM 0 H ALA A 16 11.489 -2.441 -1.008 1.00 14.10 H new ATOM 0 HA ALA A 16 8.810 -2.190 -0.380 1.00 63.54 H new ATOM 0 HB1 ALA A 16 8.556 -1.908 -2.855 1.00 70.25 H new ATOM 0 HB2 ALA A 16 9.963 -1.011 -2.237 1.00 70.25 H new ATOM 0 HB3 ALA A 16 10.196 -2.558 -3.085 1.00 70.25 H new ATOM 212 N GLU A 17 9.526 -5.032 -1.964 1.00 75.15 N ATOM 213 CA GLU A 17 9.015 -6.358 -2.275 1.00 51.32 C ATOM 214 C GLU A 17 8.673 -7.131 -1.004 1.00 11.23 C ATOM 215 O GLU A 17 7.664 -7.830 -0.975 1.00 54.11 O ATOM 216 CB GLU A 17 9.981 -7.089 -3.223 1.00 24.33 C ATOM 217 CG GLU A 17 11.181 -7.796 -2.580 1.00 41.33 C ATOM 218 CD GLU A 17 12.202 -8.248 -3.632 1.00 3.42 C ATOM 219 OE1 GLU A 17 11.820 -8.567 -4.782 1.00 1.42 O ATOM 220 OE2 GLU A 17 13.416 -8.280 -3.324 1.00 54.15 O ATOM 0 H GLU A 17 10.483 -4.875 -2.279 1.00 75.15 H new ATOM 0 HA GLU A 17 8.071 -6.270 -2.813 1.00 51.32 H new ATOM 0 HB2 GLU A 17 9.411 -7.830 -3.783 1.00 24.33 H new ATOM 0 HB3 GLU A 17 10.360 -6.366 -3.945 1.00 24.33 H new ATOM 0 HG2 GLU A 17 11.663 -7.123 -1.870 1.00 41.33 H new ATOM 0 HG3 GLU A 17 10.834 -8.661 -2.014 1.00 41.33 H new ATOM 227 N ASN A 18 9.466 -6.979 0.064 1.00 72.25 N ATOM 228 CA ASN A 18 9.194 -7.678 1.311 1.00 73.52 C ATOM 229 C ASN A 18 7.949 -7.091 1.980 1.00 20.21 C ATOM 230 O ASN A 18 7.124 -7.831 2.510 1.00 62.31 O ATOM 231 CB ASN A 18 10.401 -7.618 2.252 1.00 35.41 C ATOM 232 CG ASN A 18 10.234 -8.585 3.421 1.00 25.44 C ATOM 233 OD1 ASN A 18 9.504 -9.569 3.334 1.00 13.24 O ATOM 234 ND2 ASN A 18 10.889 -8.340 4.541 1.00 34.21 N ATOM 0 H ASN A 18 10.293 -6.382 0.083 1.00 72.25 H new ATOM 0 HA ASN A 18 9.006 -8.728 1.085 1.00 73.52 H new ATOM 0 HB2 ASN A 18 11.309 -7.863 1.700 1.00 35.41 H new ATOM 0 HB3 ASN A 18 10.521 -6.603 2.630 1.00 35.41 H new ATOM 0 HD21 ASN A 18 10.790 -8.969 5.338 1.00 34.21 H new ATOM 0 HD22 ASN A 18 11.494 -7.522 4.609 1.00 34.21 H new ATOM 241 N PHE A 19 7.780 -5.766 1.967 1.00 51.24 N ATOM 242 CA PHE A 19 6.621 -5.100 2.555 1.00 11.44 C ATOM 243 C PHE A 19 5.375 -5.490 1.768 1.00 41.12 C ATOM 244 O PHE A 19 4.376 -5.923 2.341 1.00 21.23 O ATOM 245 CB PHE A 19 6.822 -3.576 2.561 1.00 33.41 C ATOM 246 CG PHE A 19 5.540 -2.789 2.775 1.00 53.02 C ATOM 247 CD1 PHE A 19 5.158 -1.813 1.835 1.00 52.40 C ATOM 248 CD2 PHE A 19 4.707 -3.052 3.883 1.00 20.14 C ATOM 249 CE1 PHE A 19 3.959 -1.099 2.002 1.00 43.33 C ATOM 250 CE2 PHE A 19 3.502 -2.341 4.044 1.00 21.25 C ATOM 251 CZ PHE A 19 3.129 -1.363 3.104 1.00 33.11 C ATOM 0 H PHE A 19 8.450 -5.123 1.544 1.00 51.24 H new ATOM 0 HA PHE A 19 6.500 -5.416 3.591 1.00 11.44 H new ATOM 0 HB2 PHE A 19 7.532 -3.316 3.346 1.00 33.41 H new ATOM 0 HB3 PHE A 19 7.269 -3.274 1.614 1.00 33.41 H new ATOM 0 HD1 PHE A 19 5.789 -1.612 0.982 1.00 52.40 H new ATOM 0 HD2 PHE A 19 4.994 -3.799 4.608 1.00 20.14 H new ATOM 0 HE1 PHE A 19 3.675 -0.346 1.282 1.00 43.33 H new ATOM 0 HE2 PHE A 19 2.863 -2.547 4.890 1.00 21.25 H new ATOM 0 HZ PHE A 19 2.206 -0.816 3.229 1.00 33.11 H new ATOM 261 N LEU A 20 5.440 -5.348 0.446 1.00 32.24 N ATOM 262 CA LEU A 20 4.352 -5.673 -0.452 1.00 13.42 C ATOM 263 C LEU A 20 3.945 -7.129 -0.269 1.00 24.24 C ATOM 264 O LEU A 20 2.747 -7.388 -0.175 1.00 60.24 O ATOM 265 CB LEU A 20 4.763 -5.409 -1.909 1.00 2.22 C ATOM 266 CG LEU A 20 4.847 -3.916 -2.285 1.00 34.33 C ATOM 267 CD1 LEU A 20 5.621 -3.758 -3.597 1.00 31.43 C ATOM 268 CD2 LEU A 20 3.456 -3.288 -2.435 1.00 41.33 C ATOM 0 H LEU A 20 6.269 -4.997 -0.033 1.00 32.24 H new ATOM 0 HA LEU A 20 3.498 -5.037 -0.216 1.00 13.42 H new ATOM 0 HB2 LEU A 20 5.733 -5.872 -2.090 1.00 2.22 H new ATOM 0 HB3 LEU A 20 4.048 -5.898 -2.570 1.00 2.22 H new ATOM 0 HG LEU A 20 5.365 -3.398 -1.478 1.00 34.33 H new ATOM 0 HD11 LEU A 20 5.679 -2.702 -3.860 1.00 31.43 H new ATOM 0 HD12 LEU A 20 6.628 -4.157 -3.476 1.00 31.43 H new ATOM 0 HD13 LEU A 20 5.108 -4.302 -4.390 1.00 31.43 H new ATOM 0 HD21 LEU A 20 3.559 -2.236 -2.700 1.00 41.33 H new ATOM 0 HD22 LEU A 20 2.905 -3.808 -3.219 1.00 41.33 H new ATOM 0 HD23 LEU A 20 2.915 -3.374 -1.493 1.00 41.33 H new ATOM 280 N ASN A 21 4.898 -8.061 -0.179 1.00 45.03 N ATOM 281 CA ASN A 21 4.576 -9.472 -0.016 1.00 32.34 C ATOM 282 C ASN A 21 4.035 -9.792 1.378 1.00 41.33 C ATOM 283 O ASN A 21 3.039 -10.508 1.488 1.00 62.12 O ATOM 284 CB ASN A 21 5.793 -10.350 -0.308 1.00 63.24 C ATOM 285 CG ASN A 21 5.391 -11.816 -0.231 1.00 20.34 C ATOM 286 OD1 ASN A 21 4.627 -12.300 -1.069 1.00 31.23 O ATOM 287 ND2 ASN A 21 5.860 -12.533 0.774 1.00 32.01 N ATOM 0 H ASN A 21 5.897 -7.859 -0.217 1.00 45.03 H new ATOM 0 HA ASN A 21 3.789 -9.692 -0.738 1.00 32.34 H new ATOM 0 HB2 ASN A 21 6.190 -10.122 -1.297 1.00 63.24 H new ATOM 0 HB3 ASN A 21 6.586 -10.141 0.410 1.00 63.24 H new ATOM 0 HD21 ASN A 21 5.591 -13.512 0.871 1.00 32.01 H new ATOM 0 HD22 ASN A 21 6.491 -12.108 1.453 1.00 32.01 H new ATOM 294 N SER A 22 4.659 -9.273 2.443 1.00 71.41 N ATOM 295 CA SER A 22 4.223 -9.534 3.807 1.00 32.10 C ATOM 296 C SER A 22 2.783 -9.062 4.001 1.00 71.42 C ATOM 297 O SER A 22 1.987 -9.753 4.646 1.00 30.42 O ATOM 298 CB SER A 22 5.200 -8.934 4.825 1.00 34.40 C ATOM 299 OG SER A 22 5.461 -7.580 4.579 1.00 42.24 O ATOM 0 H SER A 22 5.475 -8.665 2.377 1.00 71.41 H new ATOM 0 HA SER A 22 4.230 -10.609 3.986 1.00 32.10 H new ATOM 0 HB2 SER A 22 4.789 -9.046 5.828 1.00 34.40 H new ATOM 0 HB3 SER A 22 6.136 -9.492 4.799 1.00 34.40 H new ATOM 0 HG SER A 22 6.245 -7.499 3.997 1.00 42.24 H new ATOM 305 N PHE A 23 2.426 -7.923 3.402 1.00 22.21 N ATOM 306 CA PHE A 23 1.093 -7.353 3.461 1.00 24.42 C ATOM 307 C PHE A 23 0.090 -8.333 2.863 1.00 33.42 C ATOM 308 O PHE A 23 -0.888 -8.677 3.531 1.00 2.13 O ATOM 309 CB PHE A 23 1.090 -5.997 2.738 1.00 73.23 C ATOM 310 CG PHE A 23 -0.285 -5.424 2.455 1.00 54.00 C ATOM 311 CD1 PHE A 23 -0.757 -5.359 1.130 1.00 52.33 C ATOM 312 CD2 PHE A 23 -1.090 -4.944 3.506 1.00 65.23 C ATOM 313 CE1 PHE A 23 -2.028 -4.829 0.854 1.00 51.32 C ATOM 314 CE2 PHE A 23 -2.355 -4.398 3.226 1.00 51.20 C ATOM 315 CZ PHE A 23 -2.831 -4.351 1.902 1.00 24.05 C ATOM 0 H PHE A 23 3.078 -7.364 2.851 1.00 22.21 H new ATOM 0 HA PHE A 23 0.797 -7.178 4.495 1.00 24.42 H new ATOM 0 HB2 PHE A 23 1.649 -5.280 3.340 1.00 73.23 H new ATOM 0 HB3 PHE A 23 1.623 -6.105 1.794 1.00 73.23 H new ATOM 0 HD1 PHE A 23 -0.138 -5.719 0.321 1.00 52.33 H new ATOM 0 HD2 PHE A 23 -0.736 -4.995 4.525 1.00 65.23 H new ATOM 0 HE1 PHE A 23 -2.387 -4.789 -0.164 1.00 51.32 H new ATOM 0 HE2 PHE A 23 -2.964 -4.013 4.030 1.00 51.20 H new ATOM 0 HZ PHE A 23 -3.811 -3.948 1.693 1.00 24.05 H new ATOM 325 N LEU A 24 0.332 -8.794 1.633 1.00 22.34 N ATOM 326 CA LEU A 24 -0.558 -9.728 0.942 1.00 21.24 C ATOM 327 C LEU A 24 -0.711 -11.041 1.705 1.00 52.21 C ATOM 328 O LEU A 24 -1.838 -11.520 1.828 1.00 44.33 O ATOM 329 CB LEU A 24 -0.103 -9.976 -0.506 1.00 20.01 C ATOM 330 CG LEU A 24 -0.091 -8.712 -1.387 1.00 30.22 C ATOM 331 CD1 LEU A 24 0.335 -9.048 -2.819 1.00 54.14 C ATOM 332 CD2 LEU A 24 -1.407 -7.928 -1.405 1.00 4.44 C ATOM 0 H LEU A 24 1.152 -8.529 1.088 1.00 22.34 H new ATOM 0 HA LEU A 24 -1.541 -9.259 0.905 1.00 21.24 H new ATOM 0 HB2 LEU A 24 0.899 -10.406 -0.492 1.00 20.01 H new ATOM 0 HB3 LEU A 24 -0.761 -10.716 -0.961 1.00 20.01 H new ATOM 0 HG LEU A 24 0.642 -8.054 -0.920 1.00 30.22 H new ATOM 0 HD11 LEU A 24 0.336 -8.139 -3.421 1.00 54.14 H new ATOM 0 HD12 LEU A 24 1.337 -9.478 -2.809 1.00 54.14 H new ATOM 0 HD13 LEU A 24 -0.364 -9.767 -3.247 1.00 54.14 H new ATOM 0 HD21 LEU A 24 -1.302 -7.056 -2.051 1.00 4.44 H new ATOM 0 HD22 LEU A 24 -2.206 -8.566 -1.783 1.00 4.44 H new ATOM 0 HD23 LEU A 24 -1.651 -7.603 -0.394 1.00 4.44 H new ATOM 344 N GLN A 25 0.379 -11.580 2.261 1.00 61.21 N ATOM 345 CA GLN A 25 0.369 -12.831 3.023 1.00 54.43 C ATOM 346 C GLN A 25 -0.615 -12.789 4.199 1.00 51.23 C ATOM 347 O GLN A 25 -1.122 -13.836 4.608 1.00 72.41 O ATOM 348 CB GLN A 25 1.792 -13.144 3.513 1.00 63.13 C ATOM 349 CG GLN A 25 2.675 -13.774 2.426 1.00 14.44 C ATOM 350 CD GLN A 25 2.400 -15.267 2.244 1.00 2.32 C ATOM 351 OE1 GLN A 25 1.301 -15.768 2.487 1.00 23.21 O ATOM 352 NE2 GLN A 25 3.394 -16.024 1.817 1.00 13.33 N ATOM 0 H GLN A 25 1.303 -11.154 2.193 1.00 61.21 H new ATOM 0 HA GLN A 25 0.028 -13.626 2.360 1.00 54.43 H new ATOM 0 HB2 GLN A 25 2.259 -12.225 3.866 1.00 63.13 H new ATOM 0 HB3 GLN A 25 1.736 -13.821 4.366 1.00 63.13 H new ATOM 0 HG2 GLN A 25 2.506 -13.258 1.481 1.00 14.44 H new ATOM 0 HG3 GLN A 25 3.724 -13.630 2.685 1.00 14.44 H new ATOM 0 HE21 GLN A 25 4.303 -15.607 1.616 1.00 13.33 H new ATOM 0 HE22 GLN A 25 3.253 -17.026 1.688 1.00 13.33 H new ATOM 361 N GLY A 26 -0.803 -11.623 4.819 1.00 52.13 N ATOM 362 CA GLY A 26 -1.744 -11.455 5.916 1.00 52.21 C ATOM 363 C GLY A 26 -3.151 -11.187 5.365 1.00 3.11 C ATOM 364 O GLY A 26 -4.119 -11.838 5.762 1.00 4.14 O ATOM 0 H GLY A 26 -0.303 -10.769 4.570 1.00 52.13 H new ATOM 0 HA2 GLY A 26 -1.753 -12.350 6.539 1.00 52.21 H new ATOM 0 HA3 GLY A 26 -1.430 -10.627 6.552 1.00 52.21 H new ATOM 368 N LEU A 27 -3.262 -10.235 4.426 1.00 3.45 N ATOM 369 CA LEU A 27 -4.499 -9.788 3.779 1.00 2.21 C ATOM 370 C LEU A 27 -5.315 -10.924 3.180 1.00 43.35 C ATOM 371 O LEU A 27 -6.540 -10.852 3.186 1.00 64.43 O ATOM 372 CB LEU A 27 -4.174 -8.810 2.640 1.00 41.00 C ATOM 373 CG LEU A 27 -5.351 -7.965 2.127 1.00 34.34 C ATOM 374 CD1 LEU A 27 -5.639 -6.774 3.048 1.00 71.41 C ATOM 375 CD2 LEU A 27 -4.981 -7.502 0.715 1.00 74.00 C ATOM 0 H LEU A 27 -2.445 -9.731 4.081 1.00 3.45 H new ATOM 0 HA LEU A 27 -5.088 -9.317 4.566 1.00 2.21 H new ATOM 0 HB2 LEU A 27 -3.388 -8.135 2.979 1.00 41.00 H new ATOM 0 HB3 LEU A 27 -3.768 -9.378 1.803 1.00 41.00 H new ATOM 0 HG LEU A 27 -6.266 -8.557 2.113 1.00 34.34 H new ATOM 0 HD11 LEU A 27 -6.477 -6.202 2.651 1.00 71.41 H new ATOM 0 HD12 LEU A 27 -5.887 -7.137 4.045 1.00 71.41 H new ATOM 0 HD13 LEU A 27 -4.757 -6.135 3.103 1.00 71.41 H new ATOM 0 HD21 LEU A 27 -5.790 -6.896 0.307 1.00 74.00 H new ATOM 0 HD22 LEU A 27 -4.067 -6.909 0.754 1.00 74.00 H new ATOM 0 HD23 LEU A 27 -4.822 -8.371 0.077 1.00 74.00 H new ATOM 387 N SER A 28 -4.656 -11.951 2.656 1.00 4.14 N ATOM 388 CA SER A 28 -5.289 -13.104 2.036 1.00 3.12 C ATOM 389 C SER A 28 -6.317 -13.778 2.953 1.00 10.14 C ATOM 390 O SER A 28 -7.376 -14.221 2.496 1.00 54.11 O ATOM 391 CB SER A 28 -4.183 -14.080 1.628 1.00 52.12 C ATOM 392 OG SER A 28 -3.324 -14.317 2.723 1.00 33.31 O ATOM 0 H SER A 28 -3.637 -12.004 2.652 1.00 4.14 H new ATOM 0 HA SER A 28 -5.852 -12.776 1.162 1.00 3.12 H new ATOM 0 HB2 SER A 28 -4.621 -15.019 1.288 1.00 52.12 H new ATOM 0 HB3 SER A 28 -3.616 -13.672 0.791 1.00 52.12 H new ATOM 0 HG SER A 28 -2.619 -14.943 2.456 1.00 33.31 H new ATOM 398 N SER A 29 -6.034 -13.794 4.256 1.00 61.54 N ATOM 399 CA SER A 29 -6.884 -14.380 5.279 1.00 43.13 C ATOM 400 C SER A 29 -7.729 -13.331 6.006 1.00 22.42 C ATOM 401 O SER A 29 -8.534 -13.696 6.867 1.00 3.12 O ATOM 402 CB SER A 29 -6.004 -15.123 6.281 1.00 31.11 C ATOM 403 OG SER A 29 -5.309 -16.172 5.631 1.00 35.44 O ATOM 0 H SER A 29 -5.179 -13.386 4.635 1.00 61.54 H new ATOM 0 HA SER A 29 -7.578 -15.065 4.792 1.00 43.13 H new ATOM 0 HB2 SER A 29 -5.294 -14.432 6.736 1.00 31.11 H new ATOM 0 HB3 SER A 29 -6.617 -15.526 7.087 1.00 31.11 H new ATOM 0 HG SER A 29 -4.745 -16.643 6.280 1.00 35.44 H new ATOM 409 N MET A 30 -7.566 -12.041 5.708 1.00 53.21 N ATOM 410 CA MET A 30 -8.325 -10.976 6.354 1.00 65.33 C ATOM 411 C MET A 30 -9.711 -10.844 5.724 1.00 70.21 C ATOM 412 O MET A 30 -9.872 -11.110 4.529 1.00 21.34 O ATOM 413 CB MET A 30 -7.582 -9.639 6.209 1.00 65.45 C ATOM 414 CG MET A 30 -6.374 -9.598 7.146 1.00 64.20 C ATOM 415 SD MET A 30 -6.788 -9.430 8.901 1.00 42.32 S ATOM 416 CE MET A 30 -7.402 -7.731 8.930 1.00 50.41 C ATOM 0 H MET A 30 -6.902 -11.707 5.010 1.00 53.21 H new ATOM 0 HA MET A 30 -8.433 -11.228 7.409 1.00 65.33 H new ATOM 0 HB2 MET A 30 -7.255 -9.507 5.178 1.00 65.45 H new ATOM 0 HB3 MET A 30 -8.256 -8.814 6.438 1.00 65.45 H new ATOM 0 HG2 MET A 30 -5.793 -10.510 7.009 1.00 64.20 H new ATOM 0 HG3 MET A 30 -5.733 -8.765 6.856 1.00 64.20 H new ATOM 0 HE1 MET A 30 -7.549 -7.415 9.963 1.00 50.41 H new ATOM 0 HE2 MET A 30 -6.677 -7.074 8.449 1.00 50.41 H new ATOM 0 HE3 MET A 30 -8.350 -7.678 8.395 1.00 50.41 H new ATOM 426 N PRO A 31 -10.720 -10.388 6.485 1.00 1.11 N ATOM 427 CA PRO A 31 -12.072 -10.202 5.983 1.00 35.44 C ATOM 428 C PRO A 31 -12.101 -8.909 5.167 1.00 52.54 C ATOM 429 O PRO A 31 -12.447 -7.829 5.653 1.00 70.43 O ATOM 430 CB PRO A 31 -12.964 -10.165 7.221 1.00 73.33 C ATOM 431 CG PRO A 31 -12.048 -9.565 8.287 1.00 11.42 C ATOM 432 CD PRO A 31 -10.650 -10.049 7.900 1.00 73.04 C ATOM 0 HA PRO A 31 -12.420 -10.993 5.319 1.00 35.44 H new ATOM 0 HB2 PRO A 31 -13.852 -9.553 7.061 1.00 73.33 H new ATOM 0 HB3 PRO A 31 -13.309 -11.161 7.500 1.00 73.33 H new ATOM 0 HG2 PRO A 31 -12.105 -8.476 8.293 1.00 11.42 H new ATOM 0 HG3 PRO A 31 -12.324 -9.904 9.285 1.00 11.42 H new ATOM 0 HD2 PRO A 31 -9.905 -9.274 8.079 1.00 73.04 H new ATOM 0 HD3 PRO A 31 -10.358 -10.915 8.495 1.00 73.04 H new ATOM 440 N GLY A 32 -11.673 -8.999 3.917 1.00 11.30 N ATOM 441 CA GLY A 32 -11.619 -7.882 3.000 1.00 25.23 C ATOM 442 C GLY A 32 -11.442 -8.442 1.610 1.00 65.32 C ATOM 443 O GLY A 32 -12.442 -8.678 0.936 1.00 30.02 O ATOM 0 H GLY A 32 -11.347 -9.874 3.507 1.00 11.30 H new ATOM 0 HA2 GLY A 32 -12.533 -7.291 3.061 1.00 25.23 H new ATOM 0 HA3 GLY A 32 -10.793 -7.218 3.254 1.00 25.23 H new ATOM 447 N PHE A 33 -10.199 -8.604 1.144 1.00 63.33 N ATOM 448 CA PHE A 33 -9.996 -9.158 -0.182 1.00 40.31 C ATOM 449 C PHE A 33 -10.227 -10.671 -0.105 1.00 72.12 C ATOM 450 O PHE A 33 -10.466 -11.223 0.975 1.00 54.03 O ATOM 451 CB PHE A 33 -8.600 -8.766 -0.671 1.00 64.34 C ATOM 452 CG PHE A 33 -8.436 -7.276 -0.916 1.00 42.15 C ATOM 453 CD1 PHE A 33 -8.228 -6.389 0.159 1.00 53.14 C ATOM 454 CD2 PHE A 33 -8.489 -6.766 -2.228 1.00 41.24 C ATOM 455 CE1 PHE A 33 -8.025 -5.025 -0.092 1.00 31.40 C ATOM 456 CE2 PHE A 33 -8.297 -5.394 -2.467 1.00 20.32 C ATOM 457 CZ PHE A 33 -8.047 -4.521 -1.400 1.00 62.42 C ATOM 0 H PHE A 33 -9.348 -8.365 1.653 1.00 63.33 H new ATOM 0 HA PHE A 33 -10.701 -8.762 -0.913 1.00 40.31 H new ATOM 0 HB2 PHE A 33 -7.863 -9.088 0.065 1.00 64.34 H new ATOM 0 HB3 PHE A 33 -8.384 -9.303 -1.594 1.00 64.34 H new ATOM 0 HD1 PHE A 33 -8.225 -6.759 1.174 1.00 53.14 H new ATOM 0 HD2 PHE A 33 -8.678 -7.433 -3.056 1.00 41.24 H new ATOM 0 HE1 PHE A 33 -7.849 -4.352 0.734 1.00 31.40 H new ATOM 0 HE2 PHE A 33 -8.342 -5.012 -3.476 1.00 20.32 H new ATOM 0 HZ PHE A 33 -7.873 -3.471 -1.583 1.00 62.42 H new ATOM 467 N THR A 34 -10.179 -11.344 -1.245 1.00 62.10 N ATOM 468 CA THR A 34 -10.365 -12.782 -1.343 1.00 0.11 C ATOM 469 C THR A 34 -9.125 -13.344 -2.015 1.00 53.24 C ATOM 470 O THR A 34 -8.372 -12.593 -2.642 1.00 51.11 O ATOM 471 CB THR A 34 -11.638 -13.089 -2.152 1.00 42.40 C ATOM 472 OG1 THR A 34 -11.493 -12.646 -3.490 1.00 74.11 O ATOM 473 CG2 THR A 34 -12.851 -12.382 -1.549 1.00 21.45 C ATOM 0 H THR A 34 -10.006 -10.896 -2.145 1.00 62.10 H new ATOM 0 HA THR A 34 -10.493 -13.239 -0.362 1.00 0.11 H new ATOM 0 HB THR A 34 -11.788 -14.168 -2.125 1.00 42.40 H new ATOM 0 HG1 THR A 34 -12.309 -12.850 -3.992 1.00 74.11 H new ATOM 0 HG21 THR A 34 -13.738 -12.615 -2.138 1.00 21.45 H new ATOM 0 HG22 THR A 34 -12.997 -12.721 -0.524 1.00 21.45 H new ATOM 0 HG23 THR A 34 -12.684 -11.305 -1.554 1.00 21.45 H new ATOM 481 N ALA A 35 -8.919 -14.654 -1.933 1.00 31.30 N ATOM 482 CA ALA A 35 -7.784 -15.311 -2.553 1.00 60.22 C ATOM 483 C ALA A 35 -7.750 -14.974 -4.054 1.00 75.50 C ATOM 484 O ALA A 35 -6.673 -14.786 -4.620 1.00 1.10 O ATOM 485 CB ALA A 35 -7.894 -16.808 -2.297 1.00 1.25 C ATOM 0 H ALA A 35 -9.540 -15.289 -1.431 1.00 31.30 H new ATOM 0 HA ALA A 35 -6.845 -14.960 -2.125 1.00 60.22 H new ATOM 0 HB1 ALA A 35 -7.048 -17.319 -2.757 1.00 1.25 H new ATOM 0 HB2 ALA A 35 -7.891 -16.995 -1.223 1.00 1.25 H new ATOM 0 HB3 ALA A 35 -8.822 -17.184 -2.728 1.00 1.25 H new ATOM 491 N SER A 36 -8.924 -14.845 -4.678 1.00 42.02 N ATOM 492 CA SER A 36 -9.080 -14.498 -6.078 1.00 71.44 C ATOM 493 C SER A 36 -8.603 -13.058 -6.318 1.00 64.52 C ATOM 494 O SER A 36 -7.859 -12.820 -7.269 1.00 4.02 O ATOM 495 CB SER A 36 -10.552 -14.656 -6.451 1.00 72.11 C ATOM 496 OG SER A 36 -11.024 -15.950 -6.101 1.00 35.11 O ATOM 0 H SER A 36 -9.815 -14.985 -4.201 1.00 42.02 H new ATOM 0 HA SER A 36 -8.476 -15.156 -6.702 1.00 71.44 H new ATOM 0 HB2 SER A 36 -11.145 -13.897 -5.940 1.00 72.11 H new ATOM 0 HB3 SER A 36 -10.680 -14.494 -7.521 1.00 72.11 H new ATOM 0 HG SER A 36 -11.969 -16.031 -6.346 1.00 35.11 H new ATOM 502 N GLN A 37 -9.006 -12.096 -5.473 1.00 31.40 N ATOM 503 CA GLN A 37 -8.577 -10.704 -5.619 1.00 34.23 C ATOM 504 C GLN A 37 -7.071 -10.583 -5.354 1.00 4.54 C ATOM 505 O GLN A 37 -6.397 -9.747 -5.952 1.00 1.53 O ATOM 506 CB GLN A 37 -9.328 -9.756 -4.669 1.00 72.02 C ATOM 507 CG GLN A 37 -10.850 -9.639 -4.869 1.00 5.45 C ATOM 508 CD GLN A 37 -11.311 -8.179 -4.870 1.00 43.15 C ATOM 509 OE1 GLN A 37 -11.634 -7.587 -3.832 1.00 32.21 O ATOM 510 NE2 GLN A 37 -11.298 -7.554 -6.034 1.00 62.21 N ATOM 0 H GLN A 37 -9.629 -12.261 -4.682 1.00 31.40 H new ATOM 0 HA GLN A 37 -8.808 -10.410 -6.643 1.00 34.23 H new ATOM 0 HB2 GLN A 37 -9.144 -10.083 -3.646 1.00 72.02 H new ATOM 0 HB3 GLN A 37 -8.894 -8.761 -4.768 1.00 72.02 H new ATOM 0 HG2 GLN A 37 -11.130 -10.110 -5.811 1.00 5.45 H new ATOM 0 HG3 GLN A 37 -11.364 -10.182 -4.076 1.00 5.45 H new ATOM 0 HE21 GLN A 37 -11.029 -8.057 -6.880 1.00 62.21 H new ATOM 0 HE22 GLN A 37 -11.557 -6.569 -6.087 1.00 62.21 H new ATOM 519 N LEU A 38 -6.524 -11.397 -4.444 1.00 32.15 N ATOM 520 CA LEU A 38 -5.109 -11.392 -4.101 1.00 25.14 C ATOM 521 C LEU A 38 -4.232 -11.697 -5.317 1.00 71.44 C ATOM 522 O LEU A 38 -3.056 -11.330 -5.292 1.00 33.20 O ATOM 523 CB LEU A 38 -4.804 -12.364 -2.940 1.00 64.20 C ATOM 524 CG LEU A 38 -4.761 -11.757 -1.525 1.00 60.33 C ATOM 525 CD1 LEU A 38 -3.786 -10.589 -1.411 1.00 35.34 C ATOM 526 CD2 LEU A 38 -6.117 -11.284 -1.008 1.00 34.22 C ATOM 0 H LEU A 38 -7.065 -12.085 -3.921 1.00 32.15 H new ATOM 0 HA LEU A 38 -4.865 -10.385 -3.764 1.00 25.14 H new ATOM 0 HB2 LEU A 38 -5.556 -13.153 -2.950 1.00 64.20 H new ATOM 0 HB3 LEU A 38 -3.842 -12.838 -3.137 1.00 64.20 H new ATOM 0 HG LEU A 38 -4.422 -12.589 -0.908 1.00 60.33 H new ATOM 0 HD11 LEU A 38 -3.799 -10.202 -0.392 1.00 35.34 H new ATOM 0 HD12 LEU A 38 -2.780 -10.929 -1.657 1.00 35.34 H new ATOM 0 HD13 LEU A 38 -4.081 -9.800 -2.102 1.00 35.34 H new ATOM 0 HD21 LEU A 38 -6.000 -10.870 -0.006 1.00 34.22 H new ATOM 0 HD22 LEU A 38 -6.513 -10.517 -1.674 1.00 34.22 H new ATOM 0 HD23 LEU A 38 -6.808 -12.127 -0.974 1.00 34.22 H new ATOM 538 N ASP A 39 -4.760 -12.383 -6.336 1.00 31.25 N ATOM 539 CA ASP A 39 -4.033 -12.715 -7.559 1.00 33.31 C ATOM 540 C ASP A 39 -3.656 -11.413 -8.265 1.00 53.33 C ATOM 541 O ASP A 39 -2.490 -11.184 -8.584 1.00 74.43 O ATOM 542 CB ASP A 39 -4.912 -13.590 -8.459 1.00 5.11 C ATOM 543 CG ASP A 39 -4.171 -14.055 -9.709 1.00 55.32 C ATOM 544 OD1 ASP A 39 -4.414 -13.507 -10.803 1.00 32.50 O ATOM 545 OD2 ASP A 39 -3.456 -15.077 -9.620 1.00 11.12 O ATOM 0 H ASP A 39 -5.720 -12.727 -6.331 1.00 31.25 H new ATOM 0 HA ASP A 39 -3.127 -13.274 -7.326 1.00 33.31 H new ATOM 0 HB2 ASP A 39 -5.254 -14.459 -7.897 1.00 5.11 H new ATOM 0 HB3 ASP A 39 -5.800 -13.030 -8.752 1.00 5.11 H new ATOM 550 N ASP A 40 -4.638 -10.520 -8.442 1.00 71.11 N ATOM 551 CA ASP A 40 -4.455 -9.218 -9.086 1.00 34.11 C ATOM 552 C ASP A 40 -3.439 -8.398 -8.293 1.00 21.52 C ATOM 553 O ASP A 40 -2.558 -7.752 -8.868 1.00 0.04 O ATOM 554 CB ASP A 40 -5.778 -8.428 -9.151 1.00 10.42 C ATOM 555 CG ASP A 40 -6.792 -9.002 -10.140 1.00 62.12 C ATOM 556 OD1 ASP A 40 -7.733 -9.715 -9.721 1.00 34.34 O ATOM 557 OD2 ASP A 40 -6.665 -8.724 -11.356 1.00 12.55 O ATOM 0 H ASP A 40 -5.597 -10.687 -8.136 1.00 71.11 H new ATOM 0 HA ASP A 40 -4.103 -9.395 -10.102 1.00 34.11 H new ATOM 0 HB2 ASP A 40 -6.226 -8.406 -8.158 1.00 10.42 H new ATOM 0 HB3 ASP A 40 -5.561 -7.396 -9.426 1.00 10.42 H new ATOM 562 N LEU A 41 -3.545 -8.439 -6.959 1.00 15.11 N ATOM 563 CA LEU A 41 -2.653 -7.712 -6.063 1.00 62.34 C ATOM 564 C LEU A 41 -1.191 -8.121 -6.261 1.00 53.30 C ATOM 565 O LEU A 41 -0.322 -7.276 -6.023 1.00 4.20 O ATOM 566 CB LEU A 41 -3.057 -7.882 -4.589 1.00 63.35 C ATOM 567 CG LEU A 41 -3.968 -6.797 -3.984 1.00 72.53 C ATOM 568 CD1 LEU A 41 -3.289 -5.425 -3.915 1.00 25.33 C ATOM 569 CD2 LEU A 41 -5.304 -6.675 -4.713 1.00 12.33 C ATOM 0 H LEU A 41 -4.258 -8.983 -6.473 1.00 15.11 H new ATOM 0 HA LEU A 41 -2.750 -6.658 -6.322 1.00 62.34 H new ATOM 0 HB2 LEU A 41 -3.560 -8.843 -4.484 1.00 63.35 H new ATOM 0 HB3 LEU A 41 -2.147 -7.932 -3.992 1.00 63.35 H new ATOM 0 HG LEU A 41 -4.165 -7.131 -2.965 1.00 72.53 H new ATOM 0 HD11 LEU A 41 -3.977 -4.700 -3.481 1.00 25.33 H new ATOM 0 HD12 LEU A 41 -2.394 -5.492 -3.296 1.00 25.33 H new ATOM 0 HD13 LEU A 41 -3.012 -5.105 -4.920 1.00 25.33 H new ATOM 0 HD21 LEU A 41 -5.905 -5.896 -4.244 1.00 12.33 H new ATOM 0 HD22 LEU A 41 -5.127 -6.417 -5.757 1.00 12.33 H new ATOM 0 HD23 LEU A 41 -5.836 -7.625 -4.659 1.00 12.33 H new ATOM 581 N SER A 42 -0.895 -9.373 -6.644 1.00 34.11 N ATOM 582 CA SER A 42 0.487 -9.786 -6.873 1.00 12.12 C ATOM 583 C SER A 42 1.030 -8.981 -8.053 1.00 50.44 C ATOM 584 O SER A 42 2.182 -8.552 -8.020 1.00 71.45 O ATOM 585 CB SER A 42 0.619 -11.287 -7.179 1.00 12.50 C ATOM 586 OG SER A 42 0.632 -12.070 -6.002 1.00 62.31 O ATOM 0 H SER A 42 -1.589 -10.105 -6.799 1.00 34.11 H new ATOM 0 HA SER A 42 1.053 -9.599 -5.960 1.00 12.12 H new ATOM 0 HB2 SER A 42 -0.209 -11.601 -7.814 1.00 12.50 H new ATOM 0 HB3 SER A 42 1.536 -11.463 -7.741 1.00 12.50 H new ATOM 0 HG SER A 42 0.715 -13.017 -6.240 1.00 62.31 H new ATOM 592 N THR A 43 0.252 -8.778 -9.117 1.00 34.33 N ATOM 593 CA THR A 43 0.724 -8.004 -10.252 1.00 22.13 C ATOM 594 C THR A 43 0.925 -6.554 -9.816 1.00 3.33 C ATOM 595 O THR A 43 1.989 -6.010 -10.082 1.00 0.44 O ATOM 596 CB THR A 43 -0.219 -8.184 -11.445 1.00 61.33 C ATOM 597 OG1 THR A 43 -0.209 -9.562 -11.782 1.00 15.11 O ATOM 598 CG2 THR A 43 0.275 -7.402 -12.662 1.00 44.40 C ATOM 0 H THR A 43 -0.698 -9.137 -9.211 1.00 34.33 H new ATOM 0 HA THR A 43 1.694 -8.362 -10.597 1.00 22.13 H new ATOM 0 HB THR A 43 -1.213 -7.825 -11.178 1.00 61.33 H new ATOM 0 HG1 THR A 43 -0.805 -9.717 -12.544 1.00 15.11 H new ATOM 0 HG21 THR A 43 -0.415 -7.549 -13.493 1.00 44.40 H new ATOM 0 HG22 THR A 43 0.327 -6.341 -12.416 1.00 44.40 H new ATOM 0 HG23 THR A 43 1.266 -7.757 -12.945 1.00 44.40 H new ATOM 606 N ILE A 44 -0.039 -5.950 -9.112 1.00 52.34 N ATOM 607 CA ILE A 44 0.050 -4.564 -8.639 1.00 44.34 C ATOM 608 C ILE A 44 1.351 -4.364 -7.849 1.00 52.31 C ATOM 609 O ILE A 44 2.059 -3.373 -8.060 1.00 34.02 O ATOM 610 CB ILE A 44 -1.210 -4.216 -7.809 1.00 62.23 C ATOM 611 CG1 ILE A 44 -2.457 -4.281 -8.723 1.00 1.31 C ATOM 612 CG2 ILE A 44 -1.089 -2.839 -7.128 1.00 31.14 C ATOM 613 CD1 ILE A 44 -3.795 -4.070 -8.013 1.00 54.44 C ATOM 0 H ILE A 44 -0.910 -6.413 -8.852 1.00 52.34 H new ATOM 0 HA ILE A 44 0.081 -3.878 -9.486 1.00 44.34 H new ATOM 0 HB ILE A 44 -1.311 -4.949 -7.008 1.00 62.23 H new ATOM 0 HG12 ILE A 44 -2.355 -3.527 -9.504 1.00 1.31 H new ATOM 0 HG13 ILE A 44 -2.475 -5.252 -9.218 1.00 1.31 H new ATOM 0 HG21 ILE A 44 -1.994 -2.635 -6.556 1.00 31.14 H new ATOM 0 HG22 ILE A 44 -0.229 -2.839 -6.458 1.00 31.14 H new ATOM 0 HG23 ILE A 44 -0.958 -2.068 -7.887 1.00 31.14 H new ATOM 0 HD11 ILE A 44 -4.606 -4.134 -8.739 1.00 54.44 H new ATOM 0 HD12 ILE A 44 -3.928 -4.838 -7.251 1.00 54.44 H new ATOM 0 HD13 ILE A 44 -3.806 -3.087 -7.542 1.00 54.44 H new ATOM 625 N ALA A 45 1.659 -5.310 -6.957 1.00 71.03 N ATOM 626 CA ALA A 45 2.846 -5.295 -6.126 1.00 51.20 C ATOM 627 C ALA A 45 4.097 -5.351 -6.997 1.00 33.24 C ATOM 628 O ALA A 45 4.985 -4.507 -6.887 1.00 51.21 O ATOM 629 CB ALA A 45 2.813 -6.497 -5.174 1.00 63.14 C ATOM 0 H ALA A 45 1.068 -6.125 -6.796 1.00 71.03 H new ATOM 0 HA ALA A 45 2.869 -4.373 -5.545 1.00 51.20 H new ATOM 0 HB1 ALA A 45 3.705 -6.489 -4.547 1.00 63.14 H new ATOM 0 HB2 ALA A 45 1.926 -6.438 -4.544 1.00 63.14 H new ATOM 0 HB3 ALA A 45 2.785 -7.420 -5.754 1.00 63.14 H new ATOM 635 N GLN A 46 4.165 -6.338 -7.884 1.00 64.23 N ATOM 636 CA GLN A 46 5.304 -6.518 -8.757 1.00 24.53 C ATOM 637 C GLN A 46 5.526 -5.306 -9.674 1.00 33.45 C ATOM 638 O GLN A 46 6.687 -4.976 -9.925 1.00 52.50 O ATOM 639 CB GLN A 46 5.158 -7.863 -9.483 1.00 52.24 C ATOM 640 CG GLN A 46 5.732 -9.041 -8.665 1.00 73.35 C ATOM 641 CD GLN A 46 5.198 -9.244 -7.239 1.00 54.44 C ATOM 642 OE1 GLN A 46 5.588 -8.549 -6.303 1.00 73.31 O ATOM 643 NE2 GLN A 46 4.354 -10.239 -7.015 1.00 13.33 N ATOM 0 H GLN A 46 3.429 -7.032 -8.013 1.00 64.23 H new ATOM 0 HA GLN A 46 6.225 -6.565 -8.175 1.00 24.53 H new ATOM 0 HB2 GLN A 46 4.104 -8.048 -9.690 1.00 52.24 H new ATOM 0 HB3 GLN A 46 5.668 -7.810 -10.445 1.00 52.24 H new ATOM 0 HG2 GLN A 46 5.551 -9.958 -9.225 1.00 73.35 H new ATOM 0 HG3 GLN A 46 6.813 -8.912 -8.604 1.00 73.35 H new ATOM 0 HE21 GLN A 46 4.029 -10.817 -7.790 1.00 13.33 H new ATOM 0 HE22 GLN A 46 4.028 -10.428 -6.067 1.00 13.33 H new ATOM 652 N SER A 47 4.474 -4.613 -10.127 1.00 32.11 N ATOM 653 CA SER A 47 4.614 -3.431 -10.973 1.00 23.42 C ATOM 654 C SER A 47 5.360 -2.333 -10.198 1.00 22.43 C ATOM 655 O SER A 47 6.237 -1.672 -10.765 1.00 2.24 O ATOM 656 CB SER A 47 3.242 -2.935 -11.454 1.00 23.22 C ATOM 657 OG SER A 47 2.505 -3.942 -12.126 1.00 41.53 O ATOM 0 H SER A 47 3.507 -4.858 -9.916 1.00 32.11 H new ATOM 0 HA SER A 47 5.193 -3.693 -11.859 1.00 23.42 H new ATOM 0 HB2 SER A 47 2.668 -2.579 -10.599 1.00 23.22 H new ATOM 0 HB3 SER A 47 3.380 -2.084 -12.121 1.00 23.22 H new ATOM 0 HG SER A 47 2.285 -4.661 -11.497 1.00 41.53 H new ATOM 663 N LEU A 48 5.053 -2.166 -8.902 1.00 53.42 N ATOM 664 CA LEU A 48 5.690 -1.172 -8.040 1.00 22.35 C ATOM 665 C LEU A 48 7.177 -1.493 -7.939 1.00 70.53 C ATOM 666 O LEU A 48 8.013 -0.626 -8.196 1.00 13.24 O ATOM 667 CB LEU A 48 5.066 -1.156 -6.627 1.00 42.11 C ATOM 668 CG LEU A 48 3.637 -0.594 -6.585 1.00 54.23 C ATOM 669 CD1 LEU A 48 2.873 -1.030 -5.334 1.00 21.13 C ATOM 670 CD2 LEU A 48 3.649 0.934 -6.618 1.00 15.11 C ATOM 0 H LEU A 48 4.347 -2.726 -8.423 1.00 53.42 H new ATOM 0 HA LEU A 48 5.538 -0.186 -8.478 1.00 22.35 H new ATOM 0 HB2 LEU A 48 5.058 -2.172 -6.232 1.00 42.11 H new ATOM 0 HB3 LEU A 48 5.699 -0.562 -5.967 1.00 42.11 H new ATOM 0 HG LEU A 48 3.135 -0.994 -7.466 1.00 54.23 H new ATOM 0 HD11 LEU A 48 1.869 -0.605 -5.354 1.00 21.13 H new ATOM 0 HD12 LEU A 48 2.806 -2.118 -5.309 1.00 21.13 H new ATOM 0 HD13 LEU A 48 3.398 -0.678 -4.446 1.00 21.13 H new ATOM 0 HD21 LEU A 48 2.625 1.307 -6.587 1.00 15.11 H new ATOM 0 HD22 LEU A 48 4.199 1.312 -5.756 1.00 15.11 H new ATOM 0 HD23 LEU A 48 4.132 1.274 -7.534 1.00 15.11 H new ATOM 682 N VAL A 49 7.516 -2.738 -7.584 1.00 72.14 N ATOM 683 CA VAL A 49 8.904 -3.170 -7.446 1.00 24.10 C ATOM 684 C VAL A 49 9.674 -2.917 -8.747 1.00 63.00 C ATOM 685 O VAL A 49 10.812 -2.459 -8.674 1.00 60.43 O ATOM 686 CB VAL A 49 8.986 -4.638 -6.977 1.00 11.11 C ATOM 687 CG1 VAL A 49 10.442 -5.100 -6.798 1.00 33.33 C ATOM 688 CG2 VAL A 49 8.274 -4.845 -5.635 1.00 54.12 C ATOM 0 H VAL A 49 6.834 -3.470 -7.386 1.00 72.14 H new ATOM 0 HA VAL A 49 9.384 -2.574 -6.669 1.00 24.10 H new ATOM 0 HB VAL A 49 8.499 -5.223 -7.757 1.00 11.11 H new ATOM 0 HG11 VAL A 49 10.456 -6.138 -6.467 1.00 33.33 H new ATOM 0 HG12 VAL A 49 10.970 -5.014 -7.748 1.00 33.33 H new ATOM 0 HG13 VAL A 49 10.933 -4.475 -6.052 1.00 33.33 H new ATOM 0 HG21 VAL A 49 8.354 -5.891 -5.338 1.00 54.12 H new ATOM 0 HG22 VAL A 49 8.739 -4.216 -4.876 1.00 54.12 H new ATOM 0 HG23 VAL A 49 7.223 -4.575 -5.736 1.00 54.12 H new ATOM 698 N GLN A 50 9.078 -3.155 -9.921 1.00 40.31 N ATOM 699 CA GLN A 50 9.747 -2.927 -11.200 1.00 73.13 C ATOM 700 C GLN A 50 10.161 -1.454 -11.334 1.00 30.41 C ATOM 701 O GLN A 50 11.280 -1.180 -11.773 1.00 52.43 O ATOM 702 CB GLN A 50 8.857 -3.406 -12.363 1.00 42.42 C ATOM 703 CG GLN A 50 8.828 -4.946 -12.439 1.00 41.41 C ATOM 704 CD GLN A 50 7.628 -5.537 -13.189 1.00 1.23 C ATOM 705 OE1 GLN A 50 6.606 -4.899 -13.430 1.00 30.11 O ATOM 706 NE2 GLN A 50 7.673 -6.812 -13.536 1.00 71.45 N ATOM 0 H GLN A 50 8.125 -3.509 -10.008 1.00 40.31 H new ATOM 0 HA GLN A 50 10.663 -3.516 -11.240 1.00 73.13 H new ATOM 0 HB2 GLN A 50 7.844 -3.026 -12.231 1.00 42.42 H new ATOM 0 HB3 GLN A 50 9.230 -2.999 -13.303 1.00 42.42 H new ATOM 0 HG2 GLN A 50 9.743 -5.288 -12.922 1.00 41.41 H new ATOM 0 HG3 GLN A 50 8.835 -5.345 -11.425 1.00 41.41 H new ATOM 0 HE21 GLN A 50 8.510 -7.363 -13.347 1.00 71.45 H new ATOM 0 HE22 GLN A 50 6.870 -7.245 -13.993 1.00 71.45 H new ATOM 715 N SER A 51 9.306 -0.498 -10.954 1.00 15.32 N ATOM 716 CA SER A 51 9.663 0.917 -11.048 1.00 25.53 C ATOM 717 C SER A 51 10.772 1.240 -10.039 1.00 5.45 C ATOM 718 O SER A 51 11.702 1.999 -10.331 1.00 0.35 O ATOM 719 CB SER A 51 8.426 1.801 -10.832 1.00 3.23 C ATOM 720 OG SER A 51 8.684 3.134 -11.250 1.00 23.24 O ATOM 0 H SER A 51 8.373 -0.678 -10.583 1.00 15.32 H new ATOM 0 HA SER A 51 10.042 1.127 -12.048 1.00 25.53 H new ATOM 0 HB2 SER A 51 7.581 1.396 -11.390 1.00 3.23 H new ATOM 0 HB3 SER A 51 8.146 1.792 -9.779 1.00 3.23 H new ATOM 0 HG SER A 51 7.885 3.682 -11.106 1.00 23.24 H new ATOM 726 N ILE A 52 10.701 0.656 -8.842 1.00 13.21 N ATOM 727 CA ILE A 52 11.689 0.870 -7.796 1.00 25.41 C ATOM 728 C ILE A 52 13.045 0.322 -8.277 1.00 35.23 C ATOM 729 O ILE A 52 14.052 0.988 -8.059 1.00 62.00 O ATOM 730 CB ILE A 52 11.169 0.304 -6.456 1.00 11.25 C ATOM 731 CG1 ILE A 52 9.868 1.030 -6.030 1.00 64.32 C ATOM 732 CG2 ILE A 52 12.203 0.464 -5.334 1.00 1.25 C ATOM 733 CD1 ILE A 52 9.110 0.295 -4.925 1.00 22.35 C ATOM 0 H ILE A 52 9.951 0.019 -8.574 1.00 13.21 H new ATOM 0 HA ILE A 52 11.853 1.929 -7.596 1.00 25.41 H new ATOM 0 HB ILE A 52 10.976 -0.757 -6.613 1.00 11.25 H new ATOM 0 HG12 ILE A 52 10.114 2.035 -5.688 1.00 64.32 H new ATOM 0 HG13 ILE A 52 9.218 1.139 -6.898 1.00 64.32 H new ATOM 0 HG21 ILE A 52 11.801 0.054 -4.407 1.00 1.25 H new ATOM 0 HG22 ILE A 52 13.115 -0.070 -5.601 1.00 1.25 H new ATOM 0 HG23 ILE A 52 12.429 1.521 -5.195 1.00 1.25 H new ATOM 0 HD11 ILE A 52 8.209 0.852 -4.670 1.00 22.35 H new ATOM 0 HD12 ILE A 52 8.835 -0.701 -5.273 1.00 22.35 H new ATOM 0 HD13 ILE A 52 9.745 0.209 -4.043 1.00 22.35 H new ATOM 745 N GLN A 53 13.098 -0.824 -8.970 1.00 72.11 N ATOM 746 CA GLN A 53 14.345 -1.397 -9.479 1.00 63.11 C ATOM 747 C GLN A 53 14.999 -0.453 -10.499 1.00 13.24 C ATOM 748 O GLN A 53 16.223 -0.304 -10.475 1.00 54.44 O ATOM 749 CB GLN A 53 14.116 -2.773 -10.126 1.00 72.24 C ATOM 750 CG GLN A 53 13.895 -3.937 -9.145 1.00 4.02 C ATOM 751 CD GLN A 53 13.899 -5.292 -9.863 1.00 3.33 C ATOM 752 OE1 GLN A 53 13.598 -5.388 -11.051 1.00 22.32 O ATOM 753 NE2 GLN A 53 14.229 -6.373 -9.178 1.00 15.33 N ATOM 0 H GLN A 53 12.272 -1.379 -9.192 1.00 72.11 H new ATOM 0 HA GLN A 53 15.011 -1.526 -8.626 1.00 63.11 H new ATOM 0 HB2 GLN A 53 13.250 -2.706 -10.784 1.00 72.24 H new ATOM 0 HB3 GLN A 53 14.976 -3.008 -10.753 1.00 72.24 H new ATOM 0 HG2 GLN A 53 14.676 -3.926 -8.385 1.00 4.02 H new ATOM 0 HG3 GLN A 53 12.945 -3.802 -8.628 1.00 4.02 H new ATOM 0 HE21 GLN A 53 14.479 -6.295 -8.192 1.00 15.33 H new ATOM 0 HE22 GLN A 53 14.234 -7.285 -9.635 1.00 15.33 H new ATOM 762 N SER A 54 14.216 0.190 -11.377 1.00 13.13 N ATOM 763 CA SER A 54 14.748 1.116 -12.376 1.00 32.20 C ATOM 764 C SER A 54 15.369 2.322 -11.670 1.00 33.51 C ATOM 765 O SER A 54 16.501 2.702 -11.976 1.00 12.32 O ATOM 766 CB SER A 54 13.644 1.544 -13.356 1.00 72.45 C ATOM 767 OG SER A 54 14.115 2.473 -14.318 1.00 32.32 O ATOM 0 H SER A 54 13.202 0.081 -11.412 1.00 13.13 H new ATOM 0 HA SER A 54 15.524 0.618 -12.958 1.00 32.20 H new ATOM 0 HB2 SER A 54 13.251 0.664 -13.865 1.00 72.45 H new ATOM 0 HB3 SER A 54 12.818 1.987 -12.800 1.00 72.45 H new ATOM 0 HG SER A 54 13.383 2.718 -14.922 1.00 32.32 H new ATOM 773 N LEU A 55 14.663 2.923 -10.706 1.00 54.41 N ATOM 774 CA LEU A 55 15.195 4.082 -9.993 1.00 34.23 C ATOM 775 C LEU A 55 16.407 3.680 -9.158 1.00 74.34 C ATOM 776 O LEU A 55 17.385 4.425 -9.105 1.00 54.32 O ATOM 777 CB LEU A 55 14.115 4.763 -9.135 1.00 32.13 C ATOM 778 CG LEU A 55 13.316 5.858 -9.873 1.00 24.14 C ATOM 779 CD1 LEU A 55 14.184 7.101 -10.100 1.00 63.23 C ATOM 780 CD2 LEU A 55 12.718 5.406 -11.209 1.00 31.31 C ATOM 0 H LEU A 55 13.734 2.628 -10.407 1.00 54.41 H new ATOM 0 HA LEU A 55 15.520 4.816 -10.731 1.00 34.23 H new ATOM 0 HB2 LEU A 55 13.421 4.004 -8.775 1.00 32.13 H new ATOM 0 HB3 LEU A 55 14.589 5.204 -8.258 1.00 32.13 H new ATOM 0 HG LEU A 55 12.477 6.092 -9.217 1.00 24.14 H new ATOM 0 HD11 LEU A 55 13.602 7.861 -10.622 1.00 63.23 H new ATOM 0 HD12 LEU A 55 14.515 7.494 -9.139 1.00 63.23 H new ATOM 0 HD13 LEU A 55 15.053 6.833 -10.701 1.00 63.23 H new ATOM 0 HD21 LEU A 55 12.173 6.234 -11.662 1.00 31.31 H new ATOM 0 HD22 LEU A 55 13.519 5.089 -11.877 1.00 31.31 H new ATOM 0 HD23 LEU A 55 12.036 4.573 -11.039 1.00 31.31 H new ATOM 792 N ALA A 56 16.382 2.501 -8.531 1.00 63.01 N ATOM 793 CA ALA A 56 17.478 1.999 -7.715 1.00 41.03 C ATOM 794 C ALA A 56 18.737 1.755 -8.554 1.00 62.31 C ATOM 795 O ALA A 56 19.845 1.934 -8.033 1.00 75.31 O ATOM 796 CB ALA A 56 17.051 0.725 -6.986 1.00 22.34 C ATOM 0 H ALA A 56 15.587 1.864 -8.580 1.00 63.01 H new ATOM 0 HA ALA A 56 17.725 2.759 -6.974 1.00 41.03 H new ATOM 0 HB1 ALA A 56 17.879 0.358 -6.379 1.00 22.34 H new ATOM 0 HB2 ALA A 56 16.198 0.942 -6.343 1.00 22.34 H new ATOM 0 HB3 ALA A 56 16.772 -0.035 -7.715 1.00 22.34 H new ATOM 802 N ALA A 57 18.591 1.411 -9.841 1.00 33.44 N ATOM 803 CA ALA A 57 19.717 1.167 -10.734 1.00 55.24 C ATOM 804 C ALA A 57 20.621 2.399 -10.813 1.00 10.42 C ATOM 805 O ALA A 57 21.838 2.237 -10.904 1.00 42.04 O ATOM 806 CB ALA A 57 19.229 0.774 -12.132 1.00 5.20 C ATOM 0 H ALA A 57 17.681 1.295 -10.288 1.00 33.44 H new ATOM 0 HA ALA A 57 20.296 0.338 -10.327 1.00 55.24 H new ATOM 0 HB1 ALA A 57 20.087 0.597 -12.780 1.00 5.20 H new ATOM 0 HB2 ALA A 57 18.630 -0.134 -12.066 1.00 5.20 H new ATOM 0 HB3 ALA A 57 18.622 1.579 -12.545 1.00 5.20 H new ATOM 812 N GLN A 58 20.046 3.607 -10.734 1.00 11.43 N ATOM 813 CA GLN A 58 20.790 4.864 -10.782 1.00 24.45 C ATOM 814 C GLN A 58 20.903 5.500 -9.391 1.00 11.23 C ATOM 815 O GLN A 58 21.855 6.232 -9.128 1.00 32.42 O ATOM 816 CB GLN A 58 20.132 5.846 -11.770 1.00 1.14 C ATOM 817 CG GLN A 58 19.804 5.258 -13.154 1.00 4.22 C ATOM 818 CD GLN A 58 20.981 4.551 -13.821 1.00 35.00 C ATOM 819 OE1 GLN A 58 20.998 3.330 -13.916 1.00 32.11 O ATOM 820 NE2 GLN A 58 21.958 5.277 -14.341 1.00 21.24 N ATOM 0 H GLN A 58 19.039 3.735 -10.634 1.00 11.43 H new ATOM 0 HA GLN A 58 21.798 4.640 -11.131 1.00 24.45 H new ATOM 0 HB2 GLN A 58 19.211 6.222 -11.325 1.00 1.14 H new ATOM 0 HB3 GLN A 58 20.794 6.701 -11.903 1.00 1.14 H new ATOM 0 HG2 GLN A 58 18.980 4.552 -13.052 1.00 4.22 H new ATOM 0 HG3 GLN A 58 19.458 6.060 -13.806 1.00 4.22 H new ATOM 0 HE21 GLN A 58 21.938 6.293 -14.258 1.00 21.24 H new ATOM 0 HE22 GLN A 58 22.731 4.820 -14.824 1.00 21.24 H new ATOM 829 N GLY A 59 19.957 5.237 -8.484 1.00 70.44 N ATOM 830 CA GLY A 59 19.964 5.787 -7.137 1.00 10.43 C ATOM 831 C GLY A 59 19.637 7.276 -7.158 1.00 21.24 C ATOM 832 O GLY A 59 20.224 8.022 -6.375 1.00 23.05 O ATOM 0 H GLY A 59 19.160 4.630 -8.672 1.00 70.44 H new ATOM 0 HA2 GLY A 59 19.237 5.259 -6.520 1.00 10.43 H new ATOM 0 HA3 GLY A 59 20.942 5.631 -6.681 1.00 10.43 H new ATOM 836 N ARG A 60 18.771 7.729 -8.074 1.00 54.12 N ATOM 837 CA ARG A 60 18.400 9.139 -8.221 1.00 44.01 C ATOM 838 C ARG A 60 16.887 9.336 -8.088 1.00 54.23 C ATOM 839 O ARG A 60 16.227 9.886 -8.974 1.00 73.25 O ATOM 840 CB ARG A 60 19.013 9.628 -9.552 1.00 22.11 C ATOM 841 CG ARG A 60 19.021 11.145 -9.799 1.00 70.24 C ATOM 842 CD ARG A 60 20.038 11.941 -8.961 1.00 2.25 C ATOM 843 NE ARG A 60 19.688 12.001 -7.536 1.00 45.21 N ATOM 844 CZ ARG A 60 18.690 12.692 -6.980 1.00 21.40 C ATOM 845 NH1 ARG A 60 17.939 13.533 -7.684 1.00 13.13 N ATOM 846 NH2 ARG A 60 18.415 12.501 -5.700 1.00 70.30 N ATOM 0 H ARG A 60 18.303 7.116 -8.742 1.00 54.12 H new ATOM 0 HA ARG A 60 18.803 9.755 -7.417 1.00 44.01 H new ATOM 0 HB2 ARG A 60 20.042 9.271 -9.603 1.00 22.11 H new ATOM 0 HB3 ARG A 60 18.470 9.154 -10.370 1.00 22.11 H new ATOM 0 HG2 ARG A 60 19.225 11.324 -10.855 1.00 70.24 H new ATOM 0 HG3 ARG A 60 18.023 11.535 -9.597 1.00 70.24 H new ATOM 0 HD2 ARG A 60 21.023 11.487 -9.068 1.00 2.25 H new ATOM 0 HD3 ARG A 60 20.110 12.955 -9.354 1.00 2.25 H new ATOM 0 HE ARG A 60 20.271 11.455 -6.902 1.00 45.21 H new ATOM 0 HH11 ARG A 60 18.118 13.665 -8.679 1.00 13.13 H new ATOM 0 HH12 ARG A 60 17.184 14.046 -7.229 1.00 13.13 H new ATOM 0 HH21 ARG A 60 18.962 11.835 -5.155 1.00 70.30 H new ATOM 0 HH22 ARG A 60 17.656 13.020 -5.258 1.00 70.30 H new ATOM 860 N THR A 61 16.319 8.885 -6.975 1.00 12.50 N ATOM 861 CA THR A 61 14.894 8.974 -6.683 1.00 1.32 C ATOM 862 C THR A 61 14.585 10.273 -5.940 1.00 13.24 C ATOM 863 O THR A 61 14.863 10.406 -4.745 1.00 60.43 O ATOM 864 CB THR A 61 14.405 7.726 -5.912 1.00 51.43 C ATOM 865 OG1 THR A 61 15.188 6.594 -6.250 1.00 72.14 O ATOM 866 CG2 THR A 61 12.934 7.457 -6.233 1.00 30.42 C ATOM 0 H THR A 61 16.852 8.435 -6.231 1.00 12.50 H new ATOM 0 HA THR A 61 14.343 8.996 -7.623 1.00 1.32 H new ATOM 0 HB THR A 61 14.510 7.915 -4.844 1.00 51.43 H new ATOM 0 HG1 THR A 61 14.867 5.813 -5.752 1.00 72.14 H new ATOM 0 HG21 THR A 61 12.597 6.576 -5.686 1.00 30.42 H new ATOM 0 HG22 THR A 61 12.334 8.318 -5.939 1.00 30.42 H new ATOM 0 HG23 THR A 61 12.821 7.284 -7.303 1.00 30.42 H new ATOM 874 N SER A 62 14.066 11.270 -6.654 1.00 75.25 N ATOM 875 CA SER A 62 13.690 12.553 -6.077 1.00 4.24 C ATOM 876 C SER A 62 12.545 12.333 -5.070 1.00 75.40 C ATOM 877 O SER A 62 11.783 11.372 -5.220 1.00 33.20 O ATOM 878 CB SER A 62 13.324 13.535 -7.203 1.00 31.11 C ATOM 879 OG SER A 62 12.918 12.854 -8.380 1.00 72.14 O ATOM 0 H SER A 62 13.894 11.207 -7.657 1.00 75.25 H new ATOM 0 HA SER A 62 14.522 12.997 -5.531 1.00 4.24 H new ATOM 0 HB2 SER A 62 12.521 14.192 -6.867 1.00 31.11 H new ATOM 0 HB3 SER A 62 14.182 14.169 -7.427 1.00 31.11 H new ATOM 0 HG SER A 62 12.691 13.507 -9.074 1.00 72.14 H new ATOM 885 N PRO A 63 12.368 13.215 -4.071 1.00 54.41 N ATOM 886 CA PRO A 63 11.322 13.058 -3.063 1.00 3.11 C ATOM 887 C PRO A 63 9.922 13.090 -3.667 1.00 63.13 C ATOM 888 O PRO A 63 9.108 12.234 -3.342 1.00 4.14 O ATOM 889 CB PRO A 63 11.539 14.181 -2.046 1.00 44.54 C ATOM 890 CG PRO A 63 12.320 15.231 -2.835 1.00 21.52 C ATOM 891 CD PRO A 63 13.172 14.393 -3.783 1.00 61.05 C ATOM 0 HA PRO A 63 11.390 12.081 -2.585 1.00 3.11 H new ATOM 0 HB2 PRO A 63 10.593 14.577 -1.678 1.00 44.54 H new ATOM 0 HB3 PRO A 63 12.098 13.833 -1.178 1.00 44.54 H new ATOM 0 HG2 PRO A 63 11.656 15.903 -3.378 1.00 21.52 H new ATOM 0 HG3 PRO A 63 12.935 15.850 -2.182 1.00 21.52 H new ATOM 0 HD2 PRO A 63 13.406 14.943 -4.694 1.00 61.05 H new ATOM 0 HD3 PRO A 63 14.122 14.120 -3.323 1.00 61.05 H new ATOM 899 N ASN A 64 9.676 14.008 -4.609 1.00 52.12 N ATOM 900 CA ASN A 64 8.383 14.169 -5.273 1.00 30.43 C ATOM 901 C ASN A 64 7.857 12.823 -5.790 1.00 2.53 C ATOM 902 O ASN A 64 6.772 12.382 -5.413 1.00 51.44 O ATOM 903 CB ASN A 64 8.480 15.213 -6.402 1.00 74.31 C ATOM 904 CG ASN A 64 8.703 16.622 -5.867 1.00 22.10 C ATOM 905 OD1 ASN A 64 7.821 17.208 -5.259 1.00 25.12 O ATOM 906 ND2 ASN A 64 9.877 17.198 -6.056 1.00 62.41 N ATOM 0 H ASN A 64 10.382 14.668 -4.934 1.00 52.12 H new ATOM 0 HA ASN A 64 7.664 14.537 -4.541 1.00 30.43 H new ATOM 0 HB2 ASN A 64 9.298 14.947 -7.071 1.00 74.31 H new ATOM 0 HB3 ASN A 64 7.565 15.192 -6.994 1.00 74.31 H new ATOM 0 HD21 ASN A 64 10.049 18.136 -5.693 1.00 62.41 H new ATOM 0 HD22 ASN A 64 10.611 16.705 -6.564 1.00 62.41 H new ATOM 913 N LYS A 65 8.639 12.146 -6.641 1.00 53.40 N ATOM 914 CA LYS A 65 8.239 10.853 -7.193 1.00 64.43 C ATOM 915 C LYS A 65 8.215 9.754 -6.133 1.00 72.04 C ATOM 916 O LYS A 65 7.320 8.914 -6.163 1.00 3.52 O ATOM 917 CB LYS A 65 9.116 10.472 -8.398 1.00 3.15 C ATOM 918 CG LYS A 65 10.603 10.217 -8.100 1.00 72.35 C ATOM 919 CD LYS A 65 11.412 9.700 -9.300 1.00 41.34 C ATOM 920 CE LYS A 65 11.437 10.632 -10.521 1.00 32.02 C ATOM 921 NZ LYS A 65 10.237 10.499 -11.374 1.00 24.03 N ATOM 0 H LYS A 65 9.550 12.475 -6.960 1.00 53.40 H new ATOM 0 HA LYS A 65 7.214 10.955 -7.550 1.00 64.43 H new ATOM 0 HB2 LYS A 65 8.699 9.575 -8.855 1.00 3.15 H new ATOM 0 HB3 LYS A 65 9.046 11.269 -9.138 1.00 3.15 H new ATOM 0 HG2 LYS A 65 11.054 11.144 -7.746 1.00 72.35 H new ATOM 0 HG3 LYS A 65 10.679 9.494 -7.288 1.00 72.35 H new ATOM 0 HD2 LYS A 65 12.438 9.523 -8.977 1.00 41.34 H new ATOM 0 HD3 LYS A 65 11.003 8.737 -9.606 1.00 41.34 H new ATOM 0 HE2 LYS A 65 11.522 11.664 -10.181 1.00 32.02 H new ATOM 0 HE3 LYS A 65 12.325 10.418 -11.116 1.00 32.02 H new ATOM 0 HZ1 LYS A 65 10.525 10.441 -12.372 1.00 24.03 H new ATOM 0 HZ2 LYS A 65 9.719 9.636 -11.112 1.00 24.03 H new ATOM 0 HZ3 LYS A 65 9.622 11.326 -11.239 1.00 24.03 H new ATOM 935 N LEU A 66 9.184 9.748 -5.212 1.00 2.03 N ATOM 936 CA LEU A 66 9.282 8.748 -4.155 1.00 10.31 C ATOM 937 C LEU A 66 7.996 8.732 -3.329 1.00 71.33 C ATOM 938 O LEU A 66 7.449 7.660 -3.073 1.00 50.45 O ATOM 939 CB LEU A 66 10.519 9.049 -3.288 1.00 70.43 C ATOM 940 CG LEU A 66 10.834 7.989 -2.218 1.00 63.00 C ATOM 941 CD1 LEU A 66 11.367 6.683 -2.819 1.00 15.53 C ATOM 942 CD2 LEU A 66 11.887 8.555 -1.260 1.00 51.00 C ATOM 0 H LEU A 66 9.927 10.446 -5.183 1.00 2.03 H new ATOM 0 HA LEU A 66 9.402 7.754 -4.587 1.00 10.31 H new ATOM 0 HB2 LEU A 66 11.385 9.154 -3.941 1.00 70.43 H new ATOM 0 HB3 LEU A 66 10.374 10.010 -2.795 1.00 70.43 H new ATOM 0 HG LEU A 66 9.903 7.757 -1.700 1.00 63.00 H new ATOM 0 HD11 LEU A 66 11.572 5.972 -2.019 1.00 15.53 H new ATOM 0 HD12 LEU A 66 10.623 6.263 -3.496 1.00 15.53 H new ATOM 0 HD13 LEU A 66 12.286 6.884 -3.370 1.00 15.53 H new ATOM 0 HD21 LEU A 66 12.120 7.813 -0.496 1.00 51.00 H new ATOM 0 HD22 LEU A 66 12.792 8.799 -1.817 1.00 51.00 H new ATOM 0 HD23 LEU A 66 11.500 9.456 -0.785 1.00 51.00 H new ATOM 954 N GLN A 67 7.505 9.908 -2.940 1.00 13.44 N ATOM 955 CA GLN A 67 6.299 10.079 -2.148 1.00 15.54 C ATOM 956 C GLN A 67 5.052 9.671 -2.929 1.00 11.23 C ATOM 957 O GLN A 67 4.209 8.963 -2.385 1.00 73.34 O ATOM 958 CB GLN A 67 6.205 11.546 -1.695 1.00 41.53 C ATOM 959 CG GLN A 67 5.260 11.720 -0.499 1.00 61.54 C ATOM 960 CD GLN A 67 4.944 13.191 -0.249 1.00 32.32 C ATOM 961 OE1 GLN A 67 5.829 14.027 -0.055 1.00 73.45 O ATOM 962 NE2 GLN A 67 3.670 13.549 -0.263 1.00 62.41 N ATOM 0 H GLN A 67 7.954 10.793 -3.178 1.00 13.44 H new ATOM 0 HA GLN A 67 6.354 9.428 -1.276 1.00 15.54 H new ATOM 0 HB2 GLN A 67 7.198 11.907 -1.428 1.00 41.53 H new ATOM 0 HB3 GLN A 67 5.856 12.160 -2.525 1.00 41.53 H new ATOM 0 HG2 GLN A 67 4.335 11.174 -0.682 1.00 61.54 H new ATOM 0 HG3 GLN A 67 5.715 11.287 0.392 1.00 61.54 H new ATOM 0 HE21 GLN A 67 2.945 12.849 -0.424 1.00 62.41 H new ATOM 0 HE22 GLN A 67 3.413 14.524 -0.112 1.00 62.41 H new ATOM 971 N ALA A 68 4.930 10.075 -4.200 1.00 64.40 N ATOM 972 CA ALA A 68 3.760 9.747 -5.013 1.00 5.52 C ATOM 973 C ALA A 68 3.469 8.245 -5.120 1.00 11.13 C ATOM 974 O ALA A 68 2.311 7.882 -5.341 1.00 20.43 O ATOM 975 CB ALA A 68 3.862 10.403 -6.389 1.00 30.13 C ATOM 0 H ALA A 68 5.633 10.632 -4.686 1.00 64.40 H new ATOM 0 HA ALA A 68 2.900 10.161 -4.487 1.00 5.52 H new ATOM 0 HB1 ALA A 68 2.982 10.148 -6.980 1.00 30.13 H new ATOM 0 HB2 ALA A 68 3.919 11.485 -6.273 1.00 30.13 H new ATOM 0 HB3 ALA A 68 4.757 10.045 -6.897 1.00 30.13 H new ATOM 981 N LEU A 69 4.474 7.377 -4.940 1.00 31.12 N ATOM 982 CA LEU A 69 4.286 5.927 -5.000 1.00 13.24 C ATOM 983 C LEU A 69 3.270 5.485 -3.939 1.00 43.35 C ATOM 984 O LEU A 69 2.491 4.570 -4.199 1.00 33.13 O ATOM 985 CB LEU A 69 5.618 5.183 -4.781 1.00 35.22 C ATOM 986 CG LEU A 69 6.635 5.337 -5.929 1.00 5.32 C ATOM 987 CD1 LEU A 69 8.014 4.840 -5.479 1.00 40.24 C ATOM 988 CD2 LEU A 69 6.211 4.567 -7.186 1.00 35.43 C ATOM 0 H LEU A 69 5.435 7.662 -4.750 1.00 31.12 H new ATOM 0 HA LEU A 69 3.911 5.677 -5.993 1.00 13.24 H new ATOM 0 HB2 LEU A 69 6.073 5.544 -3.859 1.00 35.22 H new ATOM 0 HB3 LEU A 69 5.408 4.123 -4.639 1.00 35.22 H new ATOM 0 HG LEU A 69 6.677 6.397 -6.179 1.00 5.32 H new ATOM 0 HD11 LEU A 69 8.726 4.953 -6.297 1.00 40.24 H new ATOM 0 HD12 LEU A 69 8.350 5.424 -4.622 1.00 40.24 H new ATOM 0 HD13 LEU A 69 7.948 3.789 -5.198 1.00 40.24 H new ATOM 0 HD21 LEU A 69 6.958 4.706 -7.967 1.00 35.43 H new ATOM 0 HD22 LEU A 69 6.124 3.506 -6.951 1.00 35.43 H new ATOM 0 HD23 LEU A 69 5.248 4.941 -7.534 1.00 35.43 H new ATOM 1000 N ASN A 70 3.268 6.130 -2.764 1.00 34.34 N ATOM 1001 CA ASN A 70 2.356 5.826 -1.661 1.00 41.43 C ATOM 1002 C ASN A 70 0.910 6.071 -2.090 1.00 34.03 C ATOM 1003 O ASN A 70 0.059 5.194 -1.932 1.00 22.51 O ATOM 1004 CB ASN A 70 2.647 6.704 -0.433 1.00 55.23 C ATOM 1005 CG ASN A 70 3.944 6.392 0.285 1.00 11.04 C ATOM 1006 OD1 ASN A 70 5.006 6.888 -0.069 1.00 4.02 O ATOM 1007 ND2 ASN A 70 3.902 5.594 1.335 1.00 13.41 N ATOM 0 H ASN A 70 3.914 6.891 -2.553 1.00 34.34 H new ATOM 0 HA ASN A 70 2.505 4.779 -1.398 1.00 41.43 H new ATOM 0 HB2 ASN A 70 2.665 7.747 -0.747 1.00 55.23 H new ATOM 0 HB3 ASN A 70 1.824 6.598 0.274 1.00 55.23 H new ATOM 0 HD21 ASN A 70 4.756 5.389 1.854 1.00 13.41 H new ATOM 0 HD22 ASN A 70 3.016 5.182 1.628 1.00 13.41 H new ATOM 1014 N MET A 71 0.632 7.255 -2.645 1.00 53.51 N ATOM 1015 CA MET A 71 -0.702 7.633 -3.097 1.00 12.21 C ATOM 1016 C MET A 71 -1.163 6.665 -4.184 1.00 20.10 C ATOM 1017 O MET A 71 -2.223 6.052 -4.076 1.00 13.31 O ATOM 1018 CB MET A 71 -0.701 9.072 -3.652 1.00 24.31 C ATOM 1019 CG MET A 71 -0.440 10.174 -2.618 1.00 44.41 C ATOM 1020 SD MET A 71 1.270 10.368 -2.031 1.00 14.30 S ATOM 1021 CE MET A 71 1.690 11.946 -2.812 1.00 64.51 C ATOM 0 H MET A 71 1.334 7.980 -2.792 1.00 53.51 H new ATOM 0 HA MET A 71 -1.385 7.589 -2.249 1.00 12.21 H new ATOM 0 HB2 MET A 71 0.057 9.142 -4.432 1.00 24.31 H new ATOM 0 HB3 MET A 71 -1.664 9.262 -4.125 1.00 24.31 H new ATOM 0 HG2 MET A 71 -0.761 11.123 -3.047 1.00 44.41 H new ATOM 0 HG3 MET A 71 -1.075 9.984 -1.753 1.00 44.41 H new ATOM 0 HE1 MET A 71 2.756 12.140 -2.690 1.00 64.51 H new ATOM 0 HE2 MET A 71 1.449 11.902 -3.874 1.00 64.51 H new ATOM 0 HE3 MET A 71 1.119 12.747 -2.343 1.00 64.51 H new ATOM 1031 N ALA A 72 -0.318 6.448 -5.193 1.00 73.45 N ATOM 1032 CA ALA A 72 -0.622 5.562 -6.303 1.00 24.22 C ATOM 1033 C ALA A 72 -0.988 4.159 -5.810 1.00 44.03 C ATOM 1034 O ALA A 72 -1.998 3.617 -6.249 1.00 24.50 O ATOM 1035 CB ALA A 72 0.570 5.559 -7.247 1.00 13.10 C ATOM 0 H ALA A 72 0.600 6.887 -5.258 1.00 73.45 H new ATOM 0 HA ALA A 72 -1.498 5.920 -6.844 1.00 24.22 H new ATOM 0 HB1 ALA A 72 0.365 4.899 -8.090 1.00 13.10 H new ATOM 0 HB2 ALA A 72 0.747 6.570 -7.612 1.00 13.10 H new ATOM 0 HB3 ALA A 72 1.454 5.205 -6.716 1.00 13.10 H new ATOM 1041 N PHE A 73 -0.220 3.600 -4.869 1.00 72.43 N ATOM 1042 CA PHE A 73 -0.462 2.282 -4.293 1.00 64.43 C ATOM 1043 C PHE A 73 -1.866 2.211 -3.679 1.00 55.53 C ATOM 1044 O PHE A 73 -2.562 1.207 -3.827 1.00 21.21 O ATOM 1045 CB PHE A 73 0.626 2.026 -3.239 1.00 32.34 C ATOM 1046 CG PHE A 73 0.547 0.730 -2.456 1.00 73.10 C ATOM 1047 CD1 PHE A 73 0.886 0.731 -1.087 1.00 44.03 C ATOM 1048 CD2 PHE A 73 0.177 -0.477 -3.083 1.00 11.24 C ATOM 1049 CE1 PHE A 73 0.865 -0.470 -0.359 1.00 32.44 C ATOM 1050 CE2 PHE A 73 0.158 -1.675 -2.351 1.00 53.05 C ATOM 1051 CZ PHE A 73 0.504 -1.673 -0.991 1.00 34.21 C ATOM 0 H PHE A 73 0.602 4.064 -4.482 1.00 72.43 H new ATOM 0 HA PHE A 73 -0.416 1.512 -5.063 1.00 64.43 H new ATOM 0 HB2 PHE A 73 1.594 2.059 -3.739 1.00 32.34 H new ATOM 0 HB3 PHE A 73 0.607 2.851 -2.527 1.00 32.34 H new ATOM 0 HD1 PHE A 73 1.161 1.654 -0.599 1.00 44.03 H new ATOM 0 HD2 PHE A 73 -0.092 -0.480 -4.129 1.00 11.24 H new ATOM 0 HE1 PHE A 73 1.127 -0.469 0.689 1.00 32.44 H new ATOM 0 HE2 PHE A 73 -0.123 -2.599 -2.835 1.00 53.05 H new ATOM 0 HZ PHE A 73 0.493 -2.596 -0.430 1.00 34.21 H new ATOM 1061 N ALA A 74 -2.285 3.256 -2.954 1.00 64.21 N ATOM 1062 CA ALA A 74 -3.608 3.309 -2.339 1.00 63.33 C ATOM 1063 C ALA A 74 -4.686 3.351 -3.434 1.00 22.25 C ATOM 1064 O ALA A 74 -5.756 2.765 -3.259 1.00 5.15 O ATOM 1065 CB ALA A 74 -3.681 4.508 -1.392 1.00 34.54 C ATOM 0 H ALA A 74 -1.715 4.084 -2.780 1.00 64.21 H new ATOM 0 HA ALA A 74 -3.790 2.414 -1.744 1.00 63.33 H new ATOM 0 HB1 ALA A 74 -4.668 4.549 -0.932 1.00 34.54 H new ATOM 0 HB2 ALA A 74 -2.923 4.405 -0.616 1.00 34.54 H new ATOM 0 HB3 ALA A 74 -3.504 5.426 -1.953 1.00 34.54 H new ATOM 1071 N SER A 75 -4.411 4.012 -4.563 1.00 51.10 N ATOM 1072 CA SER A 75 -5.318 4.100 -5.702 1.00 10.20 C ATOM 1073 C SER A 75 -5.525 2.684 -6.249 1.00 34.33 C ATOM 1074 O SER A 75 -6.665 2.290 -6.496 1.00 13.44 O ATOM 1075 CB SER A 75 -4.723 5.024 -6.778 1.00 30.34 C ATOM 1076 OG SER A 75 -5.615 6.067 -7.124 1.00 33.14 O ATOM 0 H SER A 75 -3.533 4.509 -4.709 1.00 51.10 H new ATOM 0 HA SER A 75 -6.277 4.521 -5.399 1.00 10.20 H new ATOM 0 HB2 SER A 75 -3.788 5.450 -6.415 1.00 30.34 H new ATOM 0 HB3 SER A 75 -4.483 4.440 -7.667 1.00 30.34 H new ATOM 0 HG SER A 75 -6.529 5.715 -7.167 1.00 33.14 H new ATOM 1082 N SER A 76 -4.445 1.908 -6.401 1.00 70.12 N ATOM 1083 CA SER A 76 -4.487 0.536 -6.893 1.00 0.32 C ATOM 1084 C SER A 76 -5.368 -0.317 -5.967 1.00 41.32 C ATOM 1085 O SER A 76 -6.221 -1.079 -6.422 1.00 41.21 O ATOM 1086 CB SER A 76 -3.058 -0.025 -6.949 1.00 24.13 C ATOM 1087 OG SER A 76 -2.105 0.913 -7.428 1.00 41.10 O ATOM 0 H SER A 76 -3.502 2.227 -6.180 1.00 70.12 H new ATOM 0 HA SER A 76 -4.915 0.513 -7.895 1.00 0.32 H new ATOM 0 HB2 SER A 76 -2.765 -0.354 -5.952 1.00 24.13 H new ATOM 0 HB3 SER A 76 -3.046 -0.906 -7.591 1.00 24.13 H new ATOM 0 HG SER A 76 -1.216 0.500 -7.439 1.00 41.10 H new ATOM 1093 N LEU A 77 -5.180 -0.157 -4.652 1.00 0.14 N ATOM 1094 CA LEU A 77 -5.926 -0.865 -3.618 1.00 1.42 C ATOM 1095 C LEU A 77 -7.423 -0.597 -3.755 1.00 2.50 C ATOM 1096 O LEU A 77 -8.215 -1.539 -3.784 1.00 73.44 O ATOM 1097 CB LEU A 77 -5.462 -0.403 -2.222 1.00 75.40 C ATOM 1098 CG LEU A 77 -4.747 -1.484 -1.411 1.00 32.45 C ATOM 1099 CD1 LEU A 77 -3.380 -1.881 -1.965 1.00 11.53 C ATOM 1100 CD2 LEU A 77 -4.534 -0.934 -0.009 1.00 41.53 C ATOM 0 H LEU A 77 -4.485 0.487 -4.273 1.00 0.14 H new ATOM 0 HA LEU A 77 -5.739 -1.932 -3.736 1.00 1.42 H new ATOM 0 HB2 LEU A 77 -4.794 0.451 -2.337 1.00 75.40 H new ATOM 0 HB3 LEU A 77 -6.329 -0.056 -1.660 1.00 75.40 H new ATOM 0 HG LEU A 77 -5.373 -2.376 -1.443 1.00 32.45 H new ATOM 0 HD11 LEU A 77 -2.941 -2.652 -1.332 1.00 11.53 H new ATOM 0 HD12 LEU A 77 -3.496 -2.266 -2.978 1.00 11.53 H new ATOM 0 HD13 LEU A 77 -2.727 -1.009 -1.981 1.00 11.53 H new ATOM 0 HD21 LEU A 77 -4.025 -1.680 0.601 1.00 41.53 H new ATOM 0 HD22 LEU A 77 -3.926 -0.031 -0.061 1.00 41.53 H new ATOM 0 HD23 LEU A 77 -5.499 -0.696 0.439 1.00 41.53 H new ATOM 1112 N ALA A 78 -7.799 0.686 -3.796 1.00 4.34 N ATOM 1113 CA ALA A 78 -9.181 1.125 -3.908 1.00 42.32 C ATOM 1114 C ALA A 78 -9.811 0.637 -5.200 1.00 54.23 C ATOM 1115 O ALA A 78 -10.991 0.310 -5.187 1.00 10.33 O ATOM 1116 CB ALA A 78 -9.250 2.655 -3.855 1.00 65.41 C ATOM 0 H ALA A 78 -7.133 1.457 -3.751 1.00 4.34 H new ATOM 0 HA ALA A 78 -9.736 0.701 -3.071 1.00 42.32 H new ATOM 0 HB1 ALA A 78 -10.288 2.976 -3.940 1.00 65.41 H new ATOM 0 HB2 ALA A 78 -8.838 3.005 -2.909 1.00 65.41 H new ATOM 0 HB3 ALA A 78 -8.673 3.074 -4.679 1.00 65.41 H new ATOM 1122 N GLU A 79 -9.056 0.559 -6.294 1.00 31.31 N ATOM 1123 CA GLU A 79 -9.581 0.113 -7.572 1.00 23.20 C ATOM 1124 C GLU A 79 -10.110 -1.319 -7.468 1.00 4.22 C ATOM 1125 O GLU A 79 -11.279 -1.562 -7.770 1.00 3.22 O ATOM 1126 CB GLU A 79 -8.479 0.236 -8.630 1.00 44.01 C ATOM 1127 CG GLU A 79 -9.038 0.243 -10.050 1.00 60.43 C ATOM 1128 CD GLU A 79 -9.859 1.492 -10.338 1.00 2.51 C ATOM 1129 OE1 GLU A 79 -9.255 2.547 -10.637 1.00 61.30 O ATOM 1130 OE2 GLU A 79 -11.108 1.426 -10.277 1.00 4.30 O ATOM 0 H GLU A 79 -8.066 0.804 -6.314 1.00 31.31 H new ATOM 0 HA GLU A 79 -10.422 0.741 -7.867 1.00 23.20 H new ATOM 0 HB2 GLU A 79 -7.915 1.153 -8.459 1.00 44.01 H new ATOM 0 HB3 GLU A 79 -7.780 -0.593 -8.521 1.00 44.01 H new ATOM 0 HG2 GLU A 79 -8.216 0.178 -10.763 1.00 60.43 H new ATOM 0 HG3 GLU A 79 -9.659 -0.640 -10.199 1.00 60.43 H new ATOM 1137 N ILE A 80 -9.273 -2.245 -6.991 1.00 20.14 N ATOM 1138 CA ILE A 80 -9.622 -3.654 -6.825 1.00 35.15 C ATOM 1139 C ILE A 80 -10.733 -3.766 -5.772 1.00 13.20 C ATOM 1140 O ILE A 80 -11.738 -4.448 -5.989 1.00 23.53 O ATOM 1141 CB ILE A 80 -8.348 -4.456 -6.456 1.00 11.20 C ATOM 1142 CG1 ILE A 80 -7.254 -4.397 -7.546 1.00 32.04 C ATOM 1143 CG2 ILE A 80 -8.648 -5.926 -6.135 1.00 35.41 C ATOM 1144 CD1 ILE A 80 -7.589 -5.122 -8.857 1.00 11.40 C ATOM 0 H ILE A 80 -8.318 -2.030 -6.705 1.00 20.14 H new ATOM 0 HA ILE A 80 -10.007 -4.081 -7.751 1.00 35.15 H new ATOM 0 HB ILE A 80 -7.970 -3.964 -5.560 1.00 11.20 H new ATOM 0 HG12 ILE A 80 -7.047 -3.351 -7.772 1.00 32.04 H new ATOM 0 HG13 ILE A 80 -6.337 -4.823 -7.139 1.00 32.04 H new ATOM 0 HG21 ILE A 80 -7.720 -6.440 -5.884 1.00 35.41 H new ATOM 0 HG22 ILE A 80 -9.334 -5.981 -5.290 1.00 35.41 H new ATOM 0 HG23 ILE A 80 -9.103 -6.403 -7.003 1.00 35.41 H new ATOM 0 HD11 ILE A 80 -6.756 -5.019 -9.553 1.00 11.40 H new ATOM 0 HD12 ILE A 80 -7.764 -6.179 -8.654 1.00 11.40 H new ATOM 0 HD13 ILE A 80 -8.485 -4.684 -9.297 1.00 11.40 H new ATOM 1156 N ALA A 81 -10.577 -3.076 -4.636 1.00 32.02 N ATOM 1157 CA ALA A 81 -11.551 -3.080 -3.553 1.00 11.10 C ATOM 1158 C ALA A 81 -12.904 -2.490 -3.964 1.00 23.34 C ATOM 1159 O ALA A 81 -13.880 -2.778 -3.279 1.00 12.51 O ATOM 1160 CB ALA A 81 -10.979 -2.343 -2.338 1.00 45.31 C ATOM 0 H ALA A 81 -9.760 -2.495 -4.447 1.00 32.02 H new ATOM 0 HA ALA A 81 -11.742 -4.121 -3.291 1.00 11.10 H new ATOM 0 HB1 ALA A 81 -11.712 -2.349 -1.531 1.00 45.31 H new ATOM 0 HB2 ALA A 81 -10.069 -2.842 -2.005 1.00 45.31 H new ATOM 0 HB3 ALA A 81 -10.749 -1.313 -2.612 1.00 45.31 H new ATOM 1166 N ALA A 82 -12.982 -1.694 -5.033 1.00 51.22 N ATOM 1167 CA ALA A 82 -14.211 -1.080 -5.522 1.00 11.24 C ATOM 1168 C ALA A 82 -14.746 -1.777 -6.784 1.00 33.13 C ATOM 1169 O ALA A 82 -15.727 -1.307 -7.363 1.00 45.11 O ATOM 1170 CB ALA A 82 -13.989 0.417 -5.765 1.00 62.44 C ATOM 0 H ALA A 82 -12.166 -1.454 -5.596 1.00 51.22 H new ATOM 0 HA ALA A 82 -14.974 -1.202 -4.754 1.00 11.24 H new ATOM 0 HB1 ALA A 82 -14.912 0.867 -6.130 1.00 62.44 H new ATOM 0 HB2 ALA A 82 -13.695 0.897 -4.832 1.00 62.44 H new ATOM 0 HB3 ALA A 82 -13.201 0.552 -6.506 1.00 62.44 H new ATOM 1176 N SER A 83 -14.108 -2.863 -7.234 1.00 4.41 N ATOM 1177 CA SER A 83 -14.517 -3.615 -8.413 1.00 72.44 C ATOM 1178 C SER A 83 -15.113 -4.969 -8.036 1.00 32.34 C ATOM 1179 O SER A 83 -15.665 -5.637 -8.914 1.00 62.23 O ATOM 1180 CB SER A 83 -13.313 -3.789 -9.351 1.00 24.03 C ATOM 1181 OG SER A 83 -13.702 -4.424 -10.556 1.00 45.30 O ATOM 0 H SER A 83 -13.280 -3.246 -6.778 1.00 4.41 H new ATOM 0 HA SER A 83 -15.297 -3.055 -8.929 1.00 72.44 H new ATOM 0 HB2 SER A 83 -12.875 -2.816 -9.572 1.00 24.03 H new ATOM 0 HB3 SER A 83 -12.543 -4.380 -8.856 1.00 24.03 H new ATOM 0 HG SER A 83 -14.512 -4.954 -10.400 1.00 45.30 H new ATOM 1187 N GLU A 84 -14.997 -5.412 -6.783 1.00 24.33 N ATOM 1188 CA GLU A 84 -15.531 -6.693 -6.364 1.00 61.43 C ATOM 1189 C GLU A 84 -15.761 -6.698 -4.861 1.00 11.44 C ATOM 1190 O GLU A 84 -15.305 -5.799 -4.142 1.00 21.31 O ATOM 1191 CB GLU A 84 -14.540 -7.793 -6.777 1.00 35.03 C ATOM 1192 CG GLU A 84 -15.205 -9.148 -6.991 1.00 72.42 C ATOM 1193 CD GLU A 84 -14.266 -10.102 -7.724 1.00 34.12 C ATOM 1194 OE1 GLU A 84 -14.334 -10.148 -8.975 1.00 65.14 O ATOM 1195 OE2 GLU A 84 -13.527 -10.858 -7.057 1.00 1.50 O ATOM 0 H GLU A 84 -14.532 -4.891 -6.040 1.00 24.33 H new ATOM 0 HA GLU A 84 -16.492 -6.877 -6.844 1.00 61.43 H new ATOM 0 HB2 GLU A 84 -14.036 -7.493 -7.696 1.00 35.03 H new ATOM 0 HB3 GLU A 84 -13.772 -7.889 -6.009 1.00 35.03 H new ATOM 0 HG2 GLU A 84 -15.487 -9.576 -6.029 1.00 72.42 H new ATOM 0 HG3 GLU A 84 -16.123 -9.021 -7.565 1.00 72.42 H new ATOM 1202 N GLU A 85 -16.485 -7.705 -4.385 1.00 44.10 N ATOM 1203 CA GLU A 85 -16.802 -7.907 -2.985 1.00 3.02 C ATOM 1204 C GLU A 85 -15.921 -9.031 -2.429 1.00 71.03 C ATOM 1205 O GLU A 85 -15.135 -9.637 -3.164 1.00 44.41 O ATOM 1206 CB GLU A 85 -18.307 -8.150 -2.813 1.00 72.22 C ATOM 1207 CG GLU A 85 -18.807 -9.552 -3.184 1.00 23.55 C ATOM 1208 CD GLU A 85 -20.286 -9.738 -2.834 1.00 11.51 C ATOM 1209 OE1 GLU A 85 -20.756 -9.283 -1.762 1.00 32.45 O ATOM 1210 OE2 GLU A 85 -21.010 -10.391 -3.618 1.00 14.33 O ATOM 0 H GLU A 85 -16.879 -8.426 -4.989 1.00 44.10 H new ATOM 0 HA GLU A 85 -16.579 -7.013 -2.402 1.00 3.02 H new ATOM 0 HB2 GLU A 85 -18.570 -7.955 -1.773 1.00 72.22 H new ATOM 0 HB3 GLU A 85 -18.845 -7.421 -3.420 1.00 72.22 H new ATOM 0 HG2 GLU A 85 -18.662 -9.719 -4.251 1.00 23.55 H new ATOM 0 HG3 GLU A 85 -18.212 -10.301 -2.660 1.00 23.55 H new ATOM 1217 N GLY A 86 -16.035 -9.321 -1.138 1.00 41.13 N ATOM 1218 CA GLY A 86 -15.256 -10.357 -0.496 1.00 52.12 C ATOM 1219 C GLY A 86 -15.726 -10.470 0.935 1.00 53.43 C ATOM 1220 O GLY A 86 -16.789 -11.042 1.191 1.00 64.21 O ATOM 0 H GLY A 86 -16.676 -8.837 -0.509 1.00 41.13 H new ATOM 0 HA2 GLY A 86 -15.382 -11.307 -1.015 1.00 52.12 H new ATOM 0 HA3 GLY A 86 -14.194 -10.113 -0.531 1.00 52.12 H new ATOM 1224 N GLY A 87 -14.932 -9.925 1.849 1.00 14.45 N ATOM 1225 CA GLY A 87 -15.236 -9.917 3.263 1.00 33.52 C ATOM 1226 C GLY A 87 -16.038 -8.657 3.553 1.00 70.52 C ATOM 1227 O GLY A 87 -15.771 -7.599 2.971 1.00 23.41 O ATOM 0 H GLY A 87 -14.048 -9.471 1.619 1.00 14.45 H new ATOM 0 HA2 GLY A 87 -15.805 -10.805 3.537 1.00 33.52 H new ATOM 0 HA3 GLY A 87 -14.319 -9.932 3.852 1.00 33.52 H new ATOM 1231 N GLY A 88 -17.008 -8.777 4.457 1.00 75.31 N ATOM 1232 CA GLY A 88 -17.908 -7.724 4.892 1.00 12.11 C ATOM 1233 C GLY A 88 -18.497 -6.977 3.703 1.00 61.11 C ATOM 1234 O GLY A 88 -19.343 -7.519 2.989 1.00 62.20 O ATOM 0 H GLY A 88 -17.193 -9.662 4.928 1.00 75.31 H new ATOM 0 HA2 GLY A 88 -18.712 -8.153 5.490 1.00 12.11 H new ATOM 0 HA3 GLY A 88 -17.371 -7.026 5.534 1.00 12.11 H new ATOM 1238 N SER A 89 -18.062 -5.735 3.514 1.00 4.35 N ATOM 1239 CA SER A 89 -18.451 -4.806 2.461 1.00 21.11 C ATOM 1240 C SER A 89 -17.246 -3.897 2.182 1.00 54.31 C ATOM 1241 O SER A 89 -16.256 -3.961 2.917 1.00 14.40 O ATOM 1242 CB SER A 89 -19.654 -3.974 2.926 1.00 33.13 C ATOM 1243 OG SER A 89 -20.635 -4.778 3.562 1.00 13.42 O ATOM 0 H SER A 89 -17.374 -5.321 4.143 1.00 4.35 H new ATOM 0 HA SER A 89 -18.739 -5.339 1.555 1.00 21.11 H new ATOM 0 HB2 SER A 89 -19.316 -3.200 3.615 1.00 33.13 H new ATOM 0 HB3 SER A 89 -20.099 -3.467 2.070 1.00 33.13 H new ATOM 0 HG SER A 89 -21.385 -4.215 3.846 1.00 13.42 H new ATOM 1249 N LEU A 90 -17.322 -2.992 1.202 1.00 21.13 N ATOM 1250 CA LEU A 90 -16.225 -2.079 0.867 1.00 64.31 C ATOM 1251 C LEU A 90 -15.841 -1.251 2.099 1.00 43.42 C ATOM 1252 O LEU A 90 -14.656 -1.124 2.408 1.00 73.54 O ATOM 1253 CB LEU A 90 -16.621 -1.230 -0.349 1.00 51.20 C ATOM 1254 CG LEU A 90 -15.436 -0.628 -1.133 1.00 24.13 C ATOM 1255 CD1 LEU A 90 -15.932 -0.253 -2.527 1.00 24.51 C ATOM 1256 CD2 LEU A 90 -14.867 0.644 -0.528 1.00 54.42 C ATOM 0 H LEU A 90 -18.149 -2.871 0.617 1.00 21.13 H new ATOM 0 HA LEU A 90 -15.331 -2.635 0.583 1.00 64.31 H new ATOM 0 HB2 LEU A 90 -17.212 -1.846 -1.027 1.00 51.20 H new ATOM 0 HB3 LEU A 90 -17.266 -0.418 -0.013 1.00 51.20 H new ATOM 0 HG LEU A 90 -14.652 -1.385 -1.125 1.00 24.13 H new ATOM 0 HD11 LEU A 90 -15.111 0.176 -3.102 1.00 24.51 H new ATOM 0 HD12 LEU A 90 -16.303 -1.144 -3.033 1.00 24.51 H new ATOM 0 HD13 LEU A 90 -16.736 0.478 -2.443 1.00 24.51 H new ATOM 0 HD21 LEU A 90 -14.039 1.000 -1.141 1.00 54.42 H new ATOM 0 HD22 LEU A 90 -15.644 1.408 -0.489 1.00 54.42 H new ATOM 0 HD23 LEU A 90 -14.510 0.439 0.481 1.00 54.42 H new ATOM 1268 N SER A 91 -16.834 -0.770 2.857 1.00 25.00 N ATOM 1269 CA SER A 91 -16.654 0.015 4.081 1.00 30.20 C ATOM 1270 C SER A 91 -15.853 -0.767 5.136 1.00 43.43 C ATOM 1271 O SER A 91 -15.232 -0.178 6.022 1.00 10.32 O ATOM 1272 CB SER A 91 -18.032 0.440 4.626 1.00 74.24 C ATOM 1273 OG SER A 91 -19.097 -0.380 4.152 1.00 14.43 O ATOM 0 H SER A 91 -17.816 -0.922 2.626 1.00 25.00 H new ATOM 0 HA SER A 91 -16.077 0.909 3.844 1.00 30.20 H new ATOM 0 HB2 SER A 91 -18.012 0.406 5.715 1.00 74.24 H new ATOM 0 HB3 SER A 91 -18.225 1.475 4.343 1.00 74.24 H new ATOM 0 HG SER A 91 -19.945 -0.066 4.530 1.00 14.43 H new ATOM 1279 N THR A 92 -15.905 -2.097 5.084 1.00 43.34 N ATOM 1280 CA THR A 92 -15.183 -2.988 5.972 1.00 75.52 C ATOM 1281 C THR A 92 -13.789 -3.200 5.368 1.00 71.42 C ATOM 1282 O THR A 92 -12.796 -3.062 6.078 1.00 53.33 O ATOM 1283 CB THR A 92 -15.995 -4.282 6.157 1.00 51.42 C ATOM 1284 OG1 THR A 92 -17.257 -3.930 6.704 1.00 30.23 O ATOM 1285 CG2 THR A 92 -15.309 -5.272 7.093 1.00 62.22 C ATOM 0 H THR A 92 -16.472 -2.594 4.397 1.00 43.34 H new ATOM 0 HA THR A 92 -15.051 -2.576 6.972 1.00 75.52 H new ATOM 0 HB THR A 92 -16.093 -4.768 5.186 1.00 51.42 H new ATOM 0 HG1 THR A 92 -17.796 -4.739 6.830 1.00 30.23 H new ATOM 0 HG21 THR A 92 -15.923 -6.167 7.189 1.00 62.22 H new ATOM 0 HG22 THR A 92 -14.335 -5.542 6.686 1.00 62.22 H new ATOM 0 HG23 THR A 92 -15.178 -4.815 8.074 1.00 62.22 H new ATOM 1293 N LYS A 93 -13.695 -3.479 4.057 1.00 71.32 N ATOM 1294 CA LYS A 93 -12.452 -3.707 3.316 1.00 51.24 C ATOM 1295 C LYS A 93 -11.439 -2.597 3.612 1.00 51.11 C ATOM 1296 O LYS A 93 -10.290 -2.922 3.911 1.00 42.53 O ATOM 1297 CB LYS A 93 -12.773 -3.884 1.810 1.00 44.04 C ATOM 1298 CG LYS A 93 -11.590 -4.353 0.937 1.00 1.41 C ATOM 1299 CD LYS A 93 -11.959 -5.331 -0.204 1.00 42.43 C ATOM 1300 CE LYS A 93 -13.127 -4.942 -1.120 1.00 44.42 C ATOM 1301 NZ LYS A 93 -13.477 -6.045 -2.051 1.00 50.11 N ATOM 0 H LYS A 93 -14.521 -3.554 3.463 1.00 71.32 H new ATOM 0 HA LYS A 93 -11.977 -4.631 3.645 1.00 51.24 H new ATOM 0 HB2 LYS A 93 -13.585 -4.604 1.710 1.00 44.04 H new ATOM 0 HB3 LYS A 93 -13.139 -2.935 1.419 1.00 44.04 H new ATOM 0 HG2 LYS A 93 -11.111 -3.476 0.501 1.00 1.41 H new ATOM 0 HG3 LYS A 93 -10.852 -4.833 1.580 1.00 1.41 H new ATOM 0 HD2 LYS A 93 -11.075 -5.470 -0.827 1.00 42.43 H new ATOM 0 HD3 LYS A 93 -12.190 -6.298 0.243 1.00 42.43 H new ATOM 0 HE2 LYS A 93 -13.996 -4.686 -0.514 1.00 44.42 H new ATOM 0 HE3 LYS A 93 -12.863 -4.052 -1.691 1.00 44.42 H new ATOM 0 HZ1 LYS A 93 -14.175 -5.706 -2.744 1.00 50.11 H new ATOM 0 HZ2 LYS A 93 -12.621 -6.364 -2.549 1.00 50.11 H new ATOM 0 HZ3 LYS A 93 -13.881 -6.838 -1.513 1.00 50.11 H new ATOM 1315 N THR A 94 -11.842 -1.322 3.586 1.00 12.23 N ATOM 1316 CA THR A 94 -10.966 -0.179 3.866 1.00 21.01 C ATOM 1317 C THR A 94 -10.313 -0.316 5.254 1.00 61.12 C ATOM 1318 O THR A 94 -9.114 -0.078 5.403 1.00 33.11 O ATOM 1319 CB THR A 94 -11.749 1.134 3.701 1.00 15.11 C ATOM 1320 OG1 THR A 94 -12.909 1.138 4.502 1.00 3.23 O ATOM 1321 CG2 THR A 94 -12.163 1.351 2.241 1.00 21.00 C ATOM 0 H THR A 94 -12.801 -1.051 3.366 1.00 12.23 H new ATOM 0 HA THR A 94 -10.149 -0.162 3.144 1.00 21.01 H new ATOM 0 HB THR A 94 -11.086 1.940 4.015 1.00 15.11 H new ATOM 0 HG1 THR A 94 -13.388 1.984 4.380 1.00 3.23 H new ATOM 0 HG21 THR A 94 -12.715 2.287 2.155 1.00 21.00 H new ATOM 0 HG22 THR A 94 -11.273 1.395 1.613 1.00 21.00 H new ATOM 0 HG23 THR A 94 -12.796 0.525 1.916 1.00 21.00 H new ATOM 1329 N SER A 95 -11.080 -0.723 6.269 1.00 54.52 N ATOM 1330 CA SER A 95 -10.605 -0.903 7.635 1.00 52.43 C ATOM 1331 C SER A 95 -9.748 -2.169 7.753 1.00 60.43 C ATOM 1332 O SER A 95 -8.732 -2.160 8.447 1.00 31.33 O ATOM 1333 CB SER A 95 -11.825 -0.940 8.566 1.00 22.25 C ATOM 1334 OG SER A 95 -11.478 -0.686 9.916 1.00 14.20 O ATOM 0 H SER A 95 -12.070 -0.940 6.157 1.00 54.52 H new ATOM 0 HA SER A 95 -9.962 -0.072 7.925 1.00 52.43 H new ATOM 0 HB2 SER A 95 -12.554 -0.201 8.235 1.00 22.25 H new ATOM 0 HB3 SER A 95 -12.305 -1.916 8.494 1.00 22.25 H new ATOM 0 HG SER A 95 -12.284 -0.718 10.472 1.00 14.20 H new ATOM 1340 N SER A 96 -10.094 -3.250 7.043 1.00 50.44 N ATOM 1341 CA SER A 96 -9.347 -4.504 7.094 1.00 62.11 C ATOM 1342 C SER A 96 -7.910 -4.290 6.618 1.00 35.12 C ATOM 1343 O SER A 96 -6.979 -4.910 7.132 1.00 74.44 O ATOM 1344 CB SER A 96 -10.078 -5.578 6.282 1.00 63.13 C ATOM 1345 OG SER A 96 -11.405 -5.714 6.758 1.00 52.12 O ATOM 0 H SER A 96 -10.900 -3.276 6.418 1.00 50.44 H new ATOM 0 HA SER A 96 -9.290 -4.854 8.125 1.00 62.11 H new ATOM 0 HB2 SER A 96 -10.086 -5.307 5.226 1.00 63.13 H new ATOM 0 HB3 SER A 96 -9.553 -6.530 6.363 1.00 63.13 H new ATOM 0 HG SER A 96 -11.860 -6.426 6.261 1.00 52.12 H new ATOM 1351 N ILE A 97 -7.711 -3.382 5.663 1.00 12.15 N ATOM 1352 CA ILE A 97 -6.396 -3.062 5.141 1.00 1.33 C ATOM 1353 C ILE A 97 -5.552 -2.411 6.243 1.00 42.13 C ATOM 1354 O ILE A 97 -4.362 -2.700 6.301 1.00 60.22 O ATOM 1355 CB ILE A 97 -6.544 -2.130 3.937 1.00 63.41 C ATOM 1356 CG1 ILE A 97 -7.229 -2.857 2.760 1.00 20.33 C ATOM 1357 CG2 ILE A 97 -5.186 -1.609 3.460 1.00 43.11 C ATOM 1358 CD1 ILE A 97 -8.050 -1.893 1.903 1.00 31.34 C ATOM 0 H ILE A 97 -8.466 -2.849 5.232 1.00 12.15 H new ATOM 0 HA ILE A 97 -5.890 -3.971 4.815 1.00 1.33 H new ATOM 0 HB ILE A 97 -7.157 -1.290 4.263 1.00 63.41 H new ATOM 0 HG12 ILE A 97 -6.473 -3.341 2.141 1.00 20.33 H new ATOM 0 HG13 ILE A 97 -7.877 -3.644 3.146 1.00 20.33 H new ATOM 0 HG21 ILE A 97 -5.329 -0.950 2.604 1.00 43.11 H new ATOM 0 HG22 ILE A 97 -4.705 -1.056 4.267 1.00 43.11 H new ATOM 0 HG23 ILE A 97 -4.555 -2.449 3.170 1.00 43.11 H new ATOM 0 HD11 ILE A 97 -8.517 -2.441 1.085 1.00 31.34 H new ATOM 0 HD12 ILE A 97 -8.822 -1.429 2.516 1.00 31.34 H new ATOM 0 HD13 ILE A 97 -7.397 -1.121 1.496 1.00 31.34 H new ATOM 1370 N ALA A 98 -6.110 -1.555 7.112 1.00 2.13 N ATOM 1371 CA ALA A 98 -5.336 -0.923 8.188 1.00 52.02 C ATOM 1372 C ALA A 98 -4.759 -2.003 9.102 1.00 3.22 C ATOM 1373 O ALA A 98 -3.619 -1.924 9.566 1.00 74.34 O ATOM 1374 CB ALA A 98 -6.208 0.028 9.023 1.00 64.30 C ATOM 0 H ALA A 98 -7.093 -1.285 7.090 1.00 2.13 H new ATOM 0 HA ALA A 98 -4.534 -0.343 7.731 1.00 52.02 H new ATOM 0 HB1 ALA A 98 -5.604 0.479 9.810 1.00 64.30 H new ATOM 0 HB2 ALA A 98 -6.610 0.812 8.381 1.00 64.30 H new ATOM 0 HB3 ALA A 98 -7.030 -0.531 9.471 1.00 64.30 H new ATOM 1380 N SER A 99 -5.563 -3.028 9.345 1.00 72.04 N ATOM 1381 CA SER A 99 -5.193 -4.149 10.193 1.00 34.14 C ATOM 1382 C SER A 99 -4.118 -4.996 9.495 1.00 62.23 C ATOM 1383 O SER A 99 -3.193 -5.489 10.143 1.00 63.03 O ATOM 1384 CB SER A 99 -6.477 -4.892 10.561 1.00 74.52 C ATOM 1385 OG SER A 99 -7.312 -3.992 11.265 1.00 70.15 O ATOM 0 H SER A 99 -6.502 -3.104 8.953 1.00 72.04 H new ATOM 0 HA SER A 99 -4.729 -3.836 11.129 1.00 34.14 H new ATOM 0 HB2 SER A 99 -6.978 -5.256 9.664 1.00 74.52 H new ATOM 0 HB3 SER A 99 -6.251 -5.764 11.175 1.00 74.52 H new ATOM 0 HG SER A 99 -8.146 -4.444 11.512 1.00 70.15 H new ATOM 1391 N ALA A 100 -4.198 -5.153 8.172 1.00 52.11 N ATOM 1392 CA ALA A 100 -3.220 -5.901 7.388 1.00 13.51 C ATOM 1393 C ALA A 100 -1.891 -5.119 7.387 1.00 31.53 C ATOM 1394 O ALA A 100 -0.823 -5.666 7.653 1.00 62.53 O ATOM 1395 CB ALA A 100 -3.791 -6.111 5.980 1.00 53.13 C ATOM 0 H ALA A 100 -4.953 -4.759 7.611 1.00 52.11 H new ATOM 0 HA ALA A 100 -3.019 -6.884 7.813 1.00 13.51 H new ATOM 0 HB1 ALA A 100 -3.075 -6.669 5.376 1.00 53.13 H new ATOM 0 HB2 ALA A 100 -4.724 -6.671 6.046 1.00 53.13 H new ATOM 0 HB3 ALA A 100 -3.980 -5.143 5.516 1.00 53.13 H new ATOM 1401 N LEU A 101 -1.959 -3.809 7.127 1.00 44.04 N ATOM 1402 CA LEU A 101 -0.829 -2.881 7.094 1.00 5.21 C ATOM 1403 C LEU A 101 -0.070 -2.956 8.405 1.00 15.01 C ATOM 1404 O LEU A 101 1.152 -3.042 8.390 1.00 55.20 O ATOM 1405 CB LEU A 101 -1.323 -1.433 6.932 1.00 3.21 C ATOM 1406 CG LEU A 101 -1.487 -0.980 5.480 1.00 44.41 C ATOM 1407 CD1 LEU A 101 -2.409 0.242 5.452 1.00 2.14 C ATOM 1408 CD2 LEU A 101 -0.130 -0.602 4.879 1.00 3.02 C ATOM 0 H LEU A 101 -2.846 -3.348 6.925 1.00 44.04 H new ATOM 0 HA LEU A 101 -0.192 -3.157 6.254 1.00 5.21 H new ATOM 0 HB2 LEU A 101 -2.280 -1.329 7.443 1.00 3.21 H new ATOM 0 HB3 LEU A 101 -0.622 -0.765 7.431 1.00 3.21 H new ATOM 0 HG LEU A 101 -1.912 -1.795 4.894 1.00 44.41 H new ATOM 0 HD11 LEU A 101 -2.537 0.578 4.423 1.00 2.14 H new ATOM 0 HD12 LEU A 101 -3.380 -0.025 5.870 1.00 2.14 H new ATOM 0 HD13 LEU A 101 -1.968 1.044 6.044 1.00 2.14 H new ATOM 0 HD21 LEU A 101 -0.266 -0.282 3.846 1.00 3.02 H new ATOM 0 HD22 LEU A 101 0.309 0.212 5.456 1.00 3.02 H new ATOM 0 HD23 LEU A 101 0.534 -1.466 4.907 1.00 3.02 H new ATOM 1420 N SER A 102 -0.796 -2.912 9.522 1.00 35.24 N ATOM 1421 CA SER A 102 -0.254 -2.972 10.867 1.00 2.52 C ATOM 1422 C SER A 102 0.682 -4.179 10.992 1.00 74.21 C ATOM 1423 O SER A 102 1.832 -4.037 11.406 1.00 54.12 O ATOM 1424 CB SER A 102 -1.457 -3.018 11.819 1.00 45.42 C ATOM 1425 OG SER A 102 -1.088 -3.204 13.161 1.00 64.30 O ATOM 0 H SER A 102 -1.813 -2.831 9.508 1.00 35.24 H new ATOM 0 HA SER A 102 0.357 -2.105 11.118 1.00 2.52 H new ATOM 0 HB2 SER A 102 -2.021 -2.090 11.728 1.00 45.42 H new ATOM 0 HB3 SER A 102 -2.123 -3.826 11.516 1.00 45.42 H new ATOM 0 HG SER A 102 -1.892 -3.224 13.722 1.00 64.30 H new ATOM 1431 N ASN A 103 0.206 -5.362 10.596 1.00 51.32 N ATOM 1432 CA ASN A 103 0.991 -6.581 10.654 1.00 74.51 C ATOM 1433 C ASN A 103 2.201 -6.483 9.712 1.00 0.02 C ATOM 1434 O ASN A 103 3.328 -6.715 10.145 1.00 62.14 O ATOM 1435 CB ASN A 103 0.091 -7.795 10.374 1.00 60.14 C ATOM 1436 CG ASN A 103 0.678 -9.047 11.013 1.00 52.11 C ATOM 1437 OD1 ASN A 103 1.733 -9.525 10.616 1.00 31.25 O ATOM 1438 ND2 ASN A 103 0.043 -9.606 12.029 1.00 25.12 N ATOM 0 H ASN A 103 -0.736 -5.494 10.227 1.00 51.32 H new ATOM 0 HA ASN A 103 1.398 -6.718 11.656 1.00 74.51 H new ATOM 0 HB2 ASN A 103 -0.909 -7.613 10.767 1.00 60.14 H new ATOM 0 HB3 ASN A 103 -0.010 -7.941 9.299 1.00 60.14 H new ATOM 0 HD21 ASN A 103 0.432 -10.434 12.480 1.00 25.12 H new ATOM 0 HD22 ASN A 103 -0.836 -9.209 12.361 1.00 25.12 H new ATOM 1445 N ALA A 104 2.000 -6.049 8.461 1.00 11.21 N ATOM 1446 CA ALA A 104 3.063 -5.906 7.463 1.00 64.43 C ATOM 1447 C ALA A 104 4.182 -4.966 7.936 1.00 54.33 C ATOM 1448 O ALA A 104 5.360 -5.214 7.667 1.00 4.41 O ATOM 1449 CB ALA A 104 2.469 -5.431 6.133 1.00 61.33 C ATOM 0 H ALA A 104 1.080 -5.784 8.110 1.00 11.21 H new ATOM 0 HA ALA A 104 3.520 -6.885 7.319 1.00 64.43 H new ATOM 0 HB1 ALA A 104 3.265 -5.327 5.396 1.00 61.33 H new ATOM 0 HB2 ALA A 104 1.740 -6.160 5.779 1.00 61.33 H new ATOM 0 HB3 ALA A 104 1.979 -4.468 6.277 1.00 61.33 H new ATOM 1455 N PHE A 105 3.836 -3.874 8.628 1.00 71.55 N ATOM 1456 CA PHE A 105 4.809 -2.926 9.148 1.00 2.31 C ATOM 1457 C PHE A 105 5.651 -3.639 10.201 1.00 31.53 C ATOM 1458 O PHE A 105 6.881 -3.563 10.169 1.00 62.24 O ATOM 1459 CB PHE A 105 4.117 -1.691 9.740 1.00 65.41 C ATOM 1460 CG PHE A 105 3.827 -0.590 8.739 1.00 44.31 C ATOM 1461 CD1 PHE A 105 4.897 0.089 8.126 1.00 21.13 C ATOM 1462 CD2 PHE A 105 2.506 -0.195 8.459 1.00 71.24 C ATOM 1463 CE1 PHE A 105 4.646 1.119 7.204 1.00 11.52 C ATOM 1464 CE2 PHE A 105 2.255 0.836 7.537 1.00 53.41 C ATOM 1465 CZ PHE A 105 3.324 1.480 6.895 1.00 54.41 C ATOM 0 H PHE A 105 2.869 -3.629 8.840 1.00 71.55 H new ATOM 0 HA PHE A 105 5.448 -2.572 8.339 1.00 2.31 H new ATOM 0 HB2 PHE A 105 3.179 -2.002 10.200 1.00 65.41 H new ATOM 0 HB3 PHE A 105 4.743 -1.286 10.535 1.00 65.41 H new ATOM 0 HD1 PHE A 105 5.914 -0.183 8.365 1.00 21.13 H new ATOM 0 HD2 PHE A 105 1.681 -0.686 8.954 1.00 71.24 H new ATOM 0 HE1 PHE A 105 5.470 1.634 6.732 1.00 11.52 H new ATOM 0 HE2 PHE A 105 1.239 1.133 7.323 1.00 53.41 H new ATOM 0 HZ PHE A 105 3.131 2.252 6.165 1.00 54.41 H new ATOM 1475 N LEU A 106 5.019 -4.364 11.132 1.00 52.33 N ATOM 1476 CA LEU A 106 5.772 -5.084 12.152 1.00 64.14 C ATOM 1477 C LEU A 106 6.675 -6.140 11.519 1.00 51.44 C ATOM 1478 O LEU A 106 7.758 -6.395 12.046 1.00 14.50 O ATOM 1479 CB LEU A 106 4.863 -5.732 13.200 1.00 31.40 C ATOM 1480 CG LEU A 106 4.148 -4.731 14.121 1.00 51.23 C ATOM 1481 CD1 LEU A 106 3.459 -5.514 15.231 1.00 31.24 C ATOM 1482 CD2 LEU A 106 5.101 -3.712 14.757 1.00 61.21 C ATOM 0 H LEU A 106 4.006 -4.464 11.196 1.00 52.33 H new ATOM 0 HA LEU A 106 6.389 -4.345 12.663 1.00 64.14 H new ATOM 0 HB2 LEU A 106 4.114 -6.338 12.690 1.00 31.40 H new ATOM 0 HB3 LEU A 106 5.459 -6.410 13.812 1.00 31.40 H new ATOM 0 HG LEU A 106 3.438 -4.171 13.512 1.00 51.23 H new ATOM 0 HD11 LEU A 106 2.944 -4.823 15.898 1.00 31.24 H new ATOM 0 HD12 LEU A 106 2.736 -6.204 14.795 1.00 31.24 H new ATOM 0 HD13 LEU A 106 4.203 -6.076 15.795 1.00 31.24 H new ATOM 0 HD21 LEU A 106 4.535 -3.034 15.396 1.00 61.21 H new ATOM 0 HD22 LEU A 106 5.847 -4.235 15.355 1.00 61.21 H new ATOM 0 HD23 LEU A 106 5.599 -3.141 13.973 1.00 61.21 H new ATOM 1494 N GLN A 107 6.268 -6.707 10.384 1.00 0.40 N ATOM 1495 CA GLN A 107 7.013 -7.718 9.652 1.00 74.22 C ATOM 1496 C GLN A 107 8.168 -7.136 8.836 1.00 43.33 C ATOM 1497 O GLN A 107 8.980 -7.928 8.350 1.00 33.34 O ATOM 1498 CB GLN A 107 6.051 -8.509 8.752 1.00 73.22 C ATOM 1499 CG GLN A 107 5.168 -9.401 9.630 1.00 50.31 C ATOM 1500 CD GLN A 107 4.095 -10.159 8.860 1.00 32.44 C ATOM 1501 OE1 GLN A 107 3.489 -9.660 7.912 1.00 20.55 O ATOM 1502 NE2 GLN A 107 3.831 -11.396 9.245 1.00 45.30 N ATOM 0 H GLN A 107 5.383 -6.465 9.939 1.00 0.40 H new ATOM 0 HA GLN A 107 7.469 -8.385 10.384 1.00 74.22 H new ATOM 0 HB2 GLN A 107 5.434 -7.826 8.168 1.00 73.22 H new ATOM 0 HB3 GLN A 107 6.613 -9.117 8.042 1.00 73.22 H new ATOM 0 HG2 GLN A 107 5.800 -10.118 10.154 1.00 50.31 H new ATOM 0 HG3 GLN A 107 4.688 -8.784 10.390 1.00 50.31 H new ATOM 0 HE21 GLN A 107 4.336 -11.804 10.031 1.00 45.30 H new ATOM 0 HE22 GLN A 107 3.122 -11.942 8.756 1.00 45.30 H new ATOM 1511 N THR A 108 8.316 -5.811 8.723 1.00 41.42 N ATOM 1512 CA THR A 108 9.398 -5.199 7.952 1.00 44.22 C ATOM 1513 C THR A 108 10.266 -4.240 8.770 1.00 32.11 C ATOM 1514 O THR A 108 11.491 -4.293 8.643 1.00 63.15 O ATOM 1515 CB THR A 108 8.837 -4.540 6.679 1.00 33.33 C ATOM 1516 OG1 THR A 108 7.670 -3.765 6.922 1.00 53.23 O ATOM 1517 CG2 THR A 108 8.505 -5.601 5.631 1.00 65.33 C ATOM 0 H THR A 108 7.690 -5.137 9.163 1.00 41.42 H new ATOM 0 HA THR A 108 10.075 -6.001 7.656 1.00 44.22 H new ATOM 0 HB THR A 108 9.618 -3.871 6.317 1.00 33.33 H new ATOM 0 HG1 THR A 108 6.926 -4.359 7.155 1.00 53.23 H new ATOM 0 HG21 THR A 108 8.109 -5.118 4.737 1.00 65.33 H new ATOM 0 HG22 THR A 108 9.408 -6.155 5.375 1.00 65.33 H new ATOM 0 HG23 THR A 108 7.760 -6.288 6.032 1.00 65.33 H new ATOM 1525 N THR A 109 9.679 -3.405 9.628 1.00 22.24 N ATOM 1526 CA THR A 109 10.412 -2.441 10.447 1.00 34.14 C ATOM 1527 C THR A 109 10.121 -2.568 11.948 1.00 3.51 C ATOM 1528 O THR A 109 10.851 -1.978 12.753 1.00 32.34 O ATOM 1529 CB THR A 109 10.140 -1.029 9.902 1.00 31.04 C ATOM 1530 OG1 THR A 109 8.742 -0.818 9.836 1.00 51.24 O ATOM 1531 CG2 THR A 109 10.743 -0.847 8.502 1.00 64.23 C ATOM 0 H THR A 109 8.670 -3.379 9.775 1.00 22.24 H new ATOM 0 HA THR A 109 11.477 -2.657 10.369 1.00 34.14 H new ATOM 0 HB THR A 109 10.604 -0.306 10.573 1.00 31.04 H new ATOM 0 HG1 THR A 109 8.563 0.081 9.491 1.00 51.24 H new ATOM 0 HG21 THR A 109 10.534 0.161 8.144 1.00 64.23 H new ATOM 0 HG22 THR A 109 11.821 -0.999 8.548 1.00 64.23 H new ATOM 0 HG23 THR A 109 10.303 -1.573 7.819 1.00 64.23 H new ATOM 1539 N GLY A 110 9.099 -3.329 12.368 1.00 30.05 N ATOM 1540 CA GLY A 110 8.787 -3.485 13.784 1.00 42.04 C ATOM 1541 C GLY A 110 8.138 -2.247 14.401 1.00 13.25 C ATOM 1542 O GLY A 110 8.030 -2.184 15.627 1.00 12.10 O ATOM 0 H GLY A 110 8.479 -3.843 11.742 1.00 30.05 H new ATOM 0 HA2 GLY A 110 8.119 -4.337 13.910 1.00 42.04 H new ATOM 0 HA3 GLY A 110 9.703 -3.715 14.327 1.00 42.04 H new ATOM 1546 N VAL A 111 7.699 -1.269 13.602 1.00 72.23 N ATOM 1547 CA VAL A 111 7.072 -0.051 14.094 1.00 35.13 C ATOM 1548 C VAL A 111 5.693 0.102 13.462 1.00 64.45 C ATOM 1549 O VAL A 111 5.536 0.239 12.250 1.00 23.21 O ATOM 1550 CB VAL A 111 7.996 1.165 13.896 1.00 30.32 C ATOM 1551 CG1 VAL A 111 9.134 1.095 14.920 1.00 65.44 C ATOM 1552 CG2 VAL A 111 8.602 1.282 12.493 1.00 62.21 C ATOM 0 H VAL A 111 7.773 -1.307 12.585 1.00 72.23 H new ATOM 0 HA VAL A 111 6.918 -0.116 15.171 1.00 35.13 H new ATOM 0 HB VAL A 111 7.371 2.047 14.034 1.00 30.32 H new ATOM 0 HG11 VAL A 111 9.795 1.952 14.789 1.00 65.44 H new ATOM 0 HG12 VAL A 111 8.718 1.108 15.927 1.00 65.44 H new ATOM 0 HG13 VAL A 111 9.700 0.175 14.773 1.00 65.44 H new ATOM 0 HG21 VAL A 111 9.238 2.166 12.444 1.00 62.21 H new ATOM 0 HG22 VAL A 111 9.197 0.394 12.278 1.00 62.21 H new ATOM 0 HG23 VAL A 111 7.802 1.369 11.757 1.00 62.21 H new ATOM 1562 N VAL A 112 4.679 0.031 14.313 1.00 63.42 N ATOM 1563 CA VAL A 112 3.271 0.150 13.964 1.00 33.02 C ATOM 1564 C VAL A 112 2.841 1.546 14.421 1.00 53.01 C ATOM 1565 O VAL A 112 2.976 1.856 15.608 1.00 21.13 O ATOM 1566 CB VAL A 112 2.477 -1.033 14.571 1.00 13.35 C ATOM 1567 CG1 VAL A 112 2.610 -1.217 16.091 1.00 11.33 C ATOM 1568 CG2 VAL A 112 0.988 -0.963 14.231 1.00 11.41 C ATOM 0 H VAL A 112 4.823 -0.118 15.312 1.00 63.42 H new ATOM 0 HA VAL A 112 3.071 0.074 12.895 1.00 33.02 H new ATOM 0 HB VAL A 112 2.946 -1.897 14.102 1.00 13.35 H new ATOM 0 HG11 VAL A 112 2.014 -2.073 16.407 1.00 11.33 H new ATOM 0 HG12 VAL A 112 3.656 -1.389 16.347 1.00 11.33 H new ATOM 0 HG13 VAL A 112 2.255 -0.320 16.599 1.00 11.33 H new ATOM 0 HG21 VAL A 112 0.472 -1.813 14.678 1.00 11.41 H new ATOM 0 HG22 VAL A 112 0.568 -0.037 14.623 1.00 11.41 H new ATOM 0 HG23 VAL A 112 0.860 -0.989 13.149 1.00 11.41 H new ATOM 1578 N ASN A 113 2.353 2.390 13.510 1.00 13.25 N ATOM 1579 CA ASN A 113 1.911 3.752 13.800 1.00 52.03 C ATOM 1580 C ASN A 113 0.466 3.901 13.355 1.00 51.32 C ATOM 1581 O ASN A 113 0.182 3.995 12.162 1.00 33.32 O ATOM 1582 CB ASN A 113 2.814 4.802 13.129 1.00 64.14 C ATOM 1583 CG ASN A 113 3.819 5.387 14.107 1.00 53.12 C ATOM 1584 OD1 ASN A 113 4.415 4.664 14.898 1.00 5.24 O ATOM 1585 ND2 ASN A 113 3.992 6.697 14.117 1.00 20.25 N ATOM 0 H ASN A 113 2.252 2.138 12.527 1.00 13.25 H new ATOM 0 HA ASN A 113 1.982 3.928 14.873 1.00 52.03 H new ATOM 0 HB2 ASN A 113 3.343 4.345 12.293 1.00 64.14 H new ATOM 0 HB3 ASN A 113 2.198 5.602 12.718 1.00 64.14 H new ATOM 0 HD21 ASN A 113 4.630 7.122 14.790 1.00 20.25 H new ATOM 0 HD22 ASN A 113 3.488 7.283 13.452 1.00 20.25 H new ATOM 1592 N GLN A 114 -0.447 3.959 14.321 1.00 53.14 N ATOM 1593 CA GLN A 114 -1.887 4.096 14.112 1.00 22.54 C ATOM 1594 C GLN A 114 -2.244 5.198 13.091 1.00 53.54 C ATOM 1595 O GLN A 114 -2.963 4.873 12.144 1.00 63.20 O ATOM 1596 CB GLN A 114 -2.611 4.285 15.462 1.00 74.34 C ATOM 1597 CG GLN A 114 -2.573 3.051 16.388 1.00 70.45 C ATOM 1598 CD GLN A 114 -1.174 2.648 16.857 1.00 72.13 C ATOM 1599 OE1 GLN A 114 -0.733 1.522 16.651 1.00 40.20 O ATOM 1600 NE2 GLN A 114 -0.408 3.566 17.417 1.00 35.14 N ATOM 0 H GLN A 114 -0.195 3.910 15.308 1.00 53.14 H new ATOM 0 HA GLN A 114 -2.243 3.167 13.666 1.00 22.54 H new ATOM 0 HB2 GLN A 114 -2.163 5.130 15.985 1.00 74.34 H new ATOM 0 HB3 GLN A 114 -3.651 4.546 15.268 1.00 74.34 H new ATOM 0 HG2 GLN A 114 -3.191 3.251 17.263 1.00 70.45 H new ATOM 0 HG3 GLN A 114 -3.024 2.207 15.865 1.00 70.45 H new ATOM 0 HE21 GLN A 114 -0.776 4.502 17.588 1.00 35.14 H new ATOM 0 HE22 GLN A 114 0.551 3.339 17.679 1.00 35.14 H new ATOM 1609 N PRO A 115 -1.755 6.460 13.200 1.00 44.41 N ATOM 1610 CA PRO A 115 -2.091 7.500 12.226 1.00 22.35 C ATOM 1611 C PRO A 115 -1.441 7.267 10.857 1.00 63.35 C ATOM 1612 O PRO A 115 -2.070 7.553 9.841 1.00 41.03 O ATOM 1613 CB PRO A 115 -1.603 8.818 12.836 1.00 52.04 C ATOM 1614 CG PRO A 115 -0.468 8.395 13.762 1.00 52.55 C ATOM 1615 CD PRO A 115 -0.909 7.019 14.252 1.00 75.53 C ATOM 0 HA PRO A 115 -3.165 7.502 12.038 1.00 22.35 H new ATOM 0 HB2 PRO A 115 -1.256 9.509 12.068 1.00 52.04 H new ATOM 0 HB3 PRO A 115 -2.398 9.323 13.384 1.00 52.04 H new ATOM 0 HG2 PRO A 115 0.485 8.348 13.235 1.00 52.55 H new ATOM 0 HG3 PRO A 115 -0.341 9.095 14.588 1.00 52.55 H new ATOM 0 HD2 PRO A 115 -0.047 6.378 14.439 1.00 75.53 H new ATOM 0 HD3 PRO A 115 -1.457 7.098 15.191 1.00 75.53 H new ATOM 1623 N PHE A 116 -0.208 6.748 10.826 1.00 20.53 N ATOM 1624 CA PHE A 116 0.546 6.474 9.603 1.00 43.51 C ATOM 1625 C PHE A 116 -0.153 5.418 8.752 1.00 35.43 C ATOM 1626 O PHE A 116 -0.104 5.440 7.526 1.00 54.22 O ATOM 1627 CB PHE A 116 1.962 6.034 9.981 1.00 13.32 C ATOM 1628 CG PHE A 116 2.956 6.100 8.849 1.00 43.34 C ATOM 1629 CD1 PHE A 116 3.263 4.949 8.098 1.00 5.41 C ATOM 1630 CD2 PHE A 116 3.587 7.324 8.560 1.00 44.10 C ATOM 1631 CE1 PHE A 116 4.218 5.027 7.069 1.00 41.34 C ATOM 1632 CE2 PHE A 116 4.543 7.395 7.536 1.00 2.43 C ATOM 1633 CZ PHE A 116 4.860 6.249 6.794 1.00 0.32 C ATOM 0 H PHE A 116 0.303 6.502 11.673 1.00 20.53 H new ATOM 0 HA PHE A 116 0.601 7.381 9.001 1.00 43.51 H new ATOM 0 HB2 PHE A 116 2.318 6.661 10.799 1.00 13.32 H new ATOM 0 HB3 PHE A 116 1.924 5.011 10.356 1.00 13.32 H new ATOM 0 HD1 PHE A 116 2.768 4.013 8.311 1.00 5.41 H new ATOM 0 HD2 PHE A 116 3.335 8.208 9.126 1.00 44.10 H new ATOM 0 HE1 PHE A 116 4.459 4.148 6.489 1.00 41.34 H new ATOM 0 HE2 PHE A 116 5.034 8.332 7.320 1.00 2.43 H new ATOM 0 HZ PHE A 116 5.599 6.304 6.009 1.00 0.32 H new ATOM 1643 N ILE A 117 -0.776 4.452 9.418 1.00 60.03 N ATOM 1644 CA ILE A 117 -1.524 3.390 8.781 1.00 72.50 C ATOM 1645 C ILE A 117 -2.853 3.994 8.308 1.00 11.34 C ATOM 1646 O ILE A 117 -3.275 3.774 7.175 1.00 64.33 O ATOM 1647 CB ILE A 117 -1.687 2.246 9.804 1.00 32.41 C ATOM 1648 CG1 ILE A 117 -0.326 1.547 10.016 1.00 34.20 C ATOM 1649 CG2 ILE A 117 -2.728 1.222 9.341 1.00 53.31 C ATOM 1650 CD1 ILE A 117 -0.252 0.728 11.304 1.00 52.02 C ATOM 0 H ILE A 117 -0.771 4.390 10.436 1.00 60.03 H new ATOM 0 HA ILE A 117 -1.025 2.966 7.909 1.00 72.50 H new ATOM 0 HB ILE A 117 -2.035 2.677 10.743 1.00 32.41 H new ATOM 0 HG12 ILE A 117 -0.127 0.892 9.167 1.00 34.20 H new ATOM 0 HG13 ILE A 117 0.462 2.300 10.029 1.00 34.20 H new ATOM 0 HG21 ILE A 117 -2.816 0.431 10.086 1.00 53.31 H new ATOM 0 HG22 ILE A 117 -3.693 1.714 9.218 1.00 53.31 H new ATOM 0 HG23 ILE A 117 -2.416 0.791 8.389 1.00 53.31 H new ATOM 0 HD11 ILE A 117 0.732 0.266 11.386 1.00 52.02 H new ATOM 0 HD12 ILE A 117 -0.419 1.381 12.161 1.00 52.02 H new ATOM 0 HD13 ILE A 117 -1.017 -0.049 11.286 1.00 52.02 H new ATOM 1662 N ASN A 118 -3.504 4.773 9.181 1.00 74.10 N ATOM 1663 CA ASN A 118 -4.787 5.398 8.899 1.00 3.41 C ATOM 1664 C ASN A 118 -4.775 6.313 7.679 1.00 52.33 C ATOM 1665 O ASN A 118 -5.704 6.224 6.882 1.00 61.12 O ATOM 1666 CB ASN A 118 -5.304 6.169 10.113 1.00 62.44 C ATOM 1667 CG ASN A 118 -6.747 6.615 9.901 1.00 74.01 C ATOM 1668 OD1 ASN A 118 -7.632 5.789 9.694 1.00 13.20 O ATOM 1669 ND2 ASN A 118 -7.010 7.906 10.006 1.00 51.24 N ATOM 0 H ASN A 118 -3.144 4.985 10.112 1.00 74.10 H new ATOM 0 HA ASN A 118 -5.461 4.573 8.669 1.00 3.41 H new ATOM 0 HB2 ASN A 118 -5.240 5.541 11.002 1.00 62.44 H new ATOM 0 HB3 ASN A 118 -4.673 7.039 10.292 1.00 62.44 H new ATOM 0 HD21 ASN A 118 -7.969 8.240 9.915 1.00 51.24 H new ATOM 0 HD22 ASN A 118 -6.254 8.568 10.178 1.00 51.24 H new ATOM 1676 N GLU A 119 -3.769 7.180 7.510 1.00 61.20 N ATOM 1677 CA GLU A 119 -3.700 8.100 6.369 1.00 75.31 C ATOM 1678 C GLU A 119 -3.699 7.324 5.045 1.00 32.22 C ATOM 1679 O GLU A 119 -4.368 7.716 4.089 1.00 10.21 O ATOM 1680 CB GLU A 119 -2.512 9.072 6.525 1.00 45.21 C ATOM 1681 CG GLU A 119 -1.136 8.425 6.309 1.00 51.21 C ATOM 1682 CD GLU A 119 0.029 9.302 6.792 1.00 13.11 C ATOM 1683 OE1 GLU A 119 0.159 9.544 8.016 1.00 70.15 O ATOM 1684 OE2 GLU A 119 0.804 9.819 5.946 1.00 13.11 O ATOM 0 H GLU A 119 -2.984 7.263 8.156 1.00 61.20 H new ATOM 0 HA GLU A 119 -4.595 8.722 6.349 1.00 75.31 H new ATOM 0 HB2 GLU A 119 -2.631 9.891 5.815 1.00 45.21 H new ATOM 0 HB3 GLU A 119 -2.543 9.509 7.523 1.00 45.21 H new ATOM 0 HG2 GLU A 119 -1.105 7.470 6.833 1.00 51.21 H new ATOM 0 HG3 GLU A 119 -1.005 8.211 5.248 1.00 51.21 H new ATOM 1691 N ILE A 120 -2.989 6.193 5.001 1.00 14.14 N ATOM 1692 CA ILE A 120 -2.913 5.345 3.825 1.00 23.23 C ATOM 1693 C ILE A 120 -4.303 4.747 3.569 1.00 61.23 C ATOM 1694 O ILE A 120 -4.728 4.690 2.414 1.00 12.32 O ATOM 1695 CB ILE A 120 -1.770 4.319 4.020 1.00 42.15 C ATOM 1696 CG1 ILE A 120 -0.385 4.988 3.885 1.00 73.24 C ATOM 1697 CG2 ILE A 120 -1.868 3.119 3.076 1.00 23.31 C ATOM 1698 CD1 ILE A 120 0.005 5.365 2.444 1.00 50.24 C ATOM 0 H ILE A 120 -2.448 5.844 5.792 1.00 14.14 H new ATOM 0 HA ILE A 120 -2.654 5.896 2.921 1.00 23.23 H new ATOM 0 HB ILE A 120 -1.886 3.938 5.035 1.00 42.15 H new ATOM 0 HG12 ILE A 120 -0.369 5.888 4.499 1.00 73.24 H new ATOM 0 HG13 ILE A 120 0.371 4.314 4.288 1.00 73.24 H new ATOM 0 HG21 ILE A 120 -1.037 2.439 3.265 1.00 23.31 H new ATOM 0 HG22 ILE A 120 -2.810 2.598 3.247 1.00 23.31 H new ATOM 0 HG23 ILE A 120 -1.827 3.464 2.043 1.00 23.31 H new ATOM 0 HD11 ILE A 120 0.991 5.829 2.444 1.00 50.24 H new ATOM 0 HD12 ILE A 120 0.026 4.467 1.826 1.00 50.24 H new ATOM 0 HD13 ILE A 120 -0.726 6.066 2.041 1.00 50.24 H new ATOM 1710 N THR A 121 -5.034 4.321 4.603 1.00 35.53 N ATOM 1711 CA THR A 121 -6.375 3.768 4.389 1.00 3.42 C ATOM 1712 C THR A 121 -7.383 4.854 4.004 1.00 71.55 C ATOM 1713 O THR A 121 -8.304 4.575 3.233 1.00 11.24 O ATOM 1714 CB THR A 121 -6.857 2.936 5.580 1.00 34.10 C ATOM 1715 OG1 THR A 121 -6.587 3.531 6.833 1.00 73.34 O ATOM 1716 CG2 THR A 121 -6.159 1.582 5.549 1.00 54.04 C ATOM 0 H THR A 121 -4.729 4.347 5.576 1.00 35.53 H new ATOM 0 HA THR A 121 -6.301 3.085 3.543 1.00 3.42 H new ATOM 0 HB THR A 121 -7.939 2.851 5.481 1.00 34.10 H new ATOM 0 HG1 THR A 121 -6.384 4.481 6.707 1.00 73.34 H new ATOM 0 HG21 THR A 121 -6.495 0.980 6.393 1.00 54.04 H new ATOM 0 HG22 THR A 121 -6.402 1.069 4.618 1.00 54.04 H new ATOM 0 HG23 THR A 121 -5.081 1.727 5.613 1.00 54.04 H new ATOM 1724 N GLN A 122 -7.213 6.084 4.503 1.00 35.31 N ATOM 1725 CA GLN A 122 -8.104 7.197 4.181 1.00 54.00 C ATOM 1726 C GLN A 122 -8.059 7.435 2.672 1.00 33.21 C ATOM 1727 O GLN A 122 -9.092 7.703 2.064 1.00 60.11 O ATOM 1728 CB GLN A 122 -7.740 8.476 4.956 1.00 42.02 C ATOM 1729 CG GLN A 122 -8.165 8.453 6.432 1.00 62.11 C ATOM 1730 CD GLN A 122 -9.680 8.446 6.617 1.00 35.24 C ATOM 1731 OE1 GLN A 122 -10.309 7.391 6.639 1.00 41.13 O ATOM 1732 NE2 GLN A 122 -10.302 9.603 6.762 1.00 51.12 N ATOM 0 H GLN A 122 -6.455 6.332 5.139 1.00 35.31 H new ATOM 0 HA GLN A 122 -9.117 6.936 4.486 1.00 54.00 H new ATOM 0 HB2 GLN A 122 -6.662 8.628 4.901 1.00 42.02 H new ATOM 0 HB3 GLN A 122 -8.208 9.331 4.467 1.00 42.02 H new ATOM 0 HG2 GLN A 122 -7.742 7.571 6.912 1.00 62.11 H new ATOM 0 HG3 GLN A 122 -7.747 9.323 6.938 1.00 62.11 H new ATOM 0 HE21 GLN A 122 -9.771 10.474 6.742 1.00 51.12 H new ATOM 0 HE22 GLN A 122 -11.313 9.625 6.894 1.00 51.12 H new ATOM 1741 N LEU A 123 -6.886 7.289 2.047 1.00 34.42 N ATOM 1742 CA LEU A 123 -6.744 7.464 0.608 1.00 41.24 C ATOM 1743 C LEU A 123 -7.562 6.409 -0.143 1.00 53.20 C ATOM 1744 O LEU A 123 -8.053 6.703 -1.236 1.00 13.54 O ATOM 1745 CB LEU A 123 -5.264 7.380 0.212 1.00 1.02 C ATOM 1746 CG LEU A 123 -4.530 8.717 0.390 1.00 20.35 C ATOM 1747 CD1 LEU A 123 -3.025 8.461 0.440 1.00 10.55 C ATOM 1748 CD2 LEU A 123 -4.838 9.673 -0.770 1.00 32.33 C ATOM 0 H LEU A 123 -6.018 7.048 2.525 1.00 34.42 H new ATOM 0 HA LEU A 123 -7.124 8.449 0.335 1.00 41.24 H new ATOM 0 HB2 LEU A 123 -4.773 6.617 0.815 1.00 1.02 H new ATOM 0 HB3 LEU A 123 -5.187 7.063 -0.828 1.00 1.02 H new ATOM 0 HG LEU A 123 -4.869 9.176 1.318 1.00 20.35 H new ATOM 0 HD11 LEU A 123 -2.499 9.407 0.566 1.00 10.55 H new ATOM 0 HD12 LEU A 123 -2.795 7.803 1.278 1.00 10.55 H new ATOM 0 HD13 LEU A 123 -2.705 7.989 -0.489 1.00 10.55 H new ATOM 0 HD21 LEU A 123 -4.306 10.612 -0.619 1.00 32.33 H new ATOM 0 HD22 LEU A 123 -4.517 9.221 -1.709 1.00 32.33 H new ATOM 0 HD23 LEU A 123 -5.910 9.866 -0.808 1.00 32.33 H new ATOM 1760 N VAL A 124 -7.704 5.194 0.401 1.00 52.41 N ATOM 1761 CA VAL A 124 -8.478 4.135 -0.236 1.00 14.04 C ATOM 1762 C VAL A 124 -9.959 4.500 -0.157 1.00 4.13 C ATOM 1763 O VAL A 124 -10.636 4.493 -1.182 1.00 71.44 O ATOM 1764 CB VAL A 124 -8.247 2.766 0.440 1.00 21.21 C ATOM 1765 CG1 VAL A 124 -8.994 1.610 -0.245 1.00 31.31 C ATOM 1766 CG2 VAL A 124 -6.775 2.363 0.476 1.00 20.34 C ATOM 0 H VAL A 124 -7.286 4.924 1.291 1.00 52.41 H new ATOM 0 HA VAL A 124 -8.154 4.047 -1.273 1.00 14.04 H new ATOM 0 HB VAL A 124 -8.633 2.918 1.448 1.00 21.21 H new ATOM 0 HG11 VAL A 124 -8.786 0.679 0.283 1.00 31.31 H new ATOM 0 HG12 VAL A 124 -10.066 1.807 -0.225 1.00 31.31 H new ATOM 0 HG13 VAL A 124 -8.660 1.523 -1.279 1.00 31.31 H new ATOM 0 HG21 VAL A 124 -6.675 1.393 0.963 1.00 20.34 H new ATOM 0 HG22 VAL A 124 -6.390 2.300 -0.542 1.00 20.34 H new ATOM 0 HG23 VAL A 124 -6.207 3.108 1.033 1.00 20.34 H new ATOM 1776 N SER A 125 -10.466 4.828 1.038 1.00 42.22 N ATOM 1777 CA SER A 125 -11.870 5.177 1.210 1.00 64.41 C ATOM 1778 C SER A 125 -12.230 6.430 0.416 1.00 54.03 C ATOM 1779 O SER A 125 -13.338 6.515 -0.116 1.00 11.34 O ATOM 1780 CB SER A 125 -12.212 5.286 2.699 1.00 52.20 C ATOM 1781 OG SER A 125 -11.269 6.061 3.405 1.00 22.00 O ATOM 0 H SER A 125 -9.918 4.857 1.898 1.00 42.22 H new ATOM 0 HA SER A 125 -12.488 4.378 0.801 1.00 64.41 H new ATOM 0 HB2 SER A 125 -13.202 5.729 2.812 1.00 52.20 H new ATOM 0 HB3 SER A 125 -12.258 4.288 3.134 1.00 52.20 H new ATOM 0 HG SER A 125 -10.738 6.588 2.771 1.00 22.00 H new ATOM 1787 N MET A 126 -11.299 7.378 0.306 1.00 44.32 N ATOM 1788 CA MET A 126 -11.478 8.611 -0.439 1.00 74.52 C ATOM 1789 C MET A 126 -11.636 8.248 -1.919 1.00 21.11 C ATOM 1790 O MET A 126 -12.592 8.699 -2.555 1.00 21.12 O ATOM 1791 CB MET A 126 -10.293 9.547 -0.145 1.00 51.44 C ATOM 1792 CG MET A 126 -10.410 10.955 -0.738 1.00 44.30 C ATOM 1793 SD MET A 126 -9.990 11.161 -2.488 1.00 20.43 S ATOM 1794 CE MET A 126 -8.224 10.758 -2.446 1.00 25.41 C ATOM 0 H MET A 126 -10.381 7.302 0.745 1.00 44.32 H new ATOM 0 HA MET A 126 -12.375 9.154 -0.142 1.00 74.52 H new ATOM 0 HB2 MET A 126 -10.179 9.634 0.936 1.00 51.44 H new ATOM 0 HB3 MET A 126 -9.382 9.084 -0.526 1.00 51.44 H new ATOM 0 HG2 MET A 126 -11.435 11.296 -0.595 1.00 44.30 H new ATOM 0 HG3 MET A 126 -9.769 11.619 -0.158 1.00 44.30 H new ATOM 0 HE1 MET A 126 -7.743 11.135 -3.349 1.00 25.41 H new ATOM 0 HE2 MET A 126 -7.766 11.220 -1.571 1.00 25.41 H new ATOM 0 HE3 MET A 126 -8.099 9.677 -2.393 1.00 25.41 H new ATOM 1804 N PHE A 127 -10.743 7.399 -2.453 1.00 13.44 N ATOM 1805 CA PHE A 127 -10.803 6.980 -3.850 1.00 33.41 C ATOM 1806 C PHE A 127 -12.098 6.220 -4.120 1.00 63.01 C ATOM 1807 O PHE A 127 -12.760 6.488 -5.120 1.00 34.44 O ATOM 1808 CB PHE A 127 -9.571 6.164 -4.248 1.00 32.24 C ATOM 1809 CG PHE A 127 -9.523 5.822 -5.732 1.00 54.43 C ATOM 1810 CD1 PHE A 127 -8.713 6.582 -6.597 1.00 50.32 C ATOM 1811 CD2 PHE A 127 -10.323 4.792 -6.272 1.00 14.14 C ATOM 1812 CE1 PHE A 127 -8.716 6.331 -7.981 1.00 24.45 C ATOM 1813 CE2 PHE A 127 -10.321 4.535 -7.653 1.00 45.34 C ATOM 1814 CZ PHE A 127 -9.523 5.310 -8.510 1.00 25.01 C ATOM 0 H PHE A 127 -9.969 6.991 -1.929 1.00 13.44 H new ATOM 0 HA PHE A 127 -10.800 7.874 -4.474 1.00 33.41 H new ATOM 0 HB2 PHE A 127 -8.674 6.723 -3.983 1.00 32.24 H new ATOM 0 HB3 PHE A 127 -9.554 5.240 -3.669 1.00 32.24 H new ATOM 0 HD1 PHE A 127 -8.085 7.363 -6.195 1.00 50.32 H new ATOM 0 HD2 PHE A 127 -10.942 4.196 -5.618 1.00 14.14 H new ATOM 0 HE1 PHE A 127 -8.097 6.924 -8.638 1.00 24.45 H new ATOM 0 HE2 PHE A 127 -10.933 3.741 -8.056 1.00 45.34 H new ATOM 0 HZ PHE A 127 -9.530 5.122 -9.573 1.00 25.01 H new ATOM 1824 N ALA A 128 -12.484 5.305 -3.227 1.00 73.30 N ATOM 1825 CA ALA A 128 -13.696 4.505 -3.361 1.00 1.43 C ATOM 1826 C ALA A 128 -14.962 5.359 -3.446 1.00 55.12 C ATOM 1827 O ALA A 128 -15.991 4.879 -3.929 1.00 20.21 O ATOM 1828 CB ALA A 128 -13.817 3.570 -2.161 1.00 2.40 C ATOM 0 H ALA A 128 -11.954 5.099 -2.380 1.00 73.30 H new ATOM 0 HA ALA A 128 -13.610 3.945 -4.292 1.00 1.43 H new ATOM 0 HB1 ALA A 128 -14.722 2.970 -2.257 1.00 2.40 H new ATOM 0 HB2 ALA A 128 -12.948 2.913 -2.123 1.00 2.40 H new ATOM 0 HB3 ALA A 128 -13.867 4.158 -1.245 1.00 2.40 H new ATOM 1834 N GLN A 129 -14.919 6.592 -2.936 1.00 61.55 N ATOM 1835 CA GLN A 129 -16.040 7.512 -2.962 1.00 0.45 C ATOM 1836 C GLN A 129 -15.983 8.339 -4.246 1.00 74.02 C ATOM 1837 O GLN A 129 -17.013 8.455 -4.914 1.00 24.50 O ATOM 1838 CB GLN A 129 -16.041 8.382 -1.697 1.00 73.32 C ATOM 1839 CG GLN A 129 -16.436 7.564 -0.458 1.00 75.23 C ATOM 1840 CD GLN A 129 -17.934 7.279 -0.396 1.00 14.14 C ATOM 1841 OE1 GLN A 129 -18.734 8.144 -0.057 1.00 41.04 O ATOM 1842 NE2 GLN A 129 -18.370 6.068 -0.697 1.00 5.23 N ATOM 0 H GLN A 129 -14.088 6.978 -2.488 1.00 61.55 H new ATOM 0 HA GLN A 129 -16.981 6.962 -2.964 1.00 0.45 H new ATOM 0 HB2 GLN A 129 -15.051 8.815 -1.550 1.00 73.32 H new ATOM 0 HB3 GLN A 129 -16.736 9.212 -1.824 1.00 73.32 H new ATOM 0 HG2 GLN A 129 -15.890 6.620 -0.461 1.00 75.23 H new ATOM 0 HG3 GLN A 129 -16.135 8.103 0.440 1.00 75.23 H new ATOM 0 HE21 GLN A 129 -17.710 5.344 -0.980 1.00 5.23 H new ATOM 0 HE22 GLN A 129 -19.367 5.858 -0.647 1.00 5.23 H new